[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride

C43H49Cl3N10O6S4 — CID 157467974

About [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride

[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride (PubChem CID 157467974) has the molecular formula C43H49Cl3N10O6S4 and a molecular weight of 1036.56 g/mol. Its IUPAC name is [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride.

Molecular Properties

• Compound Name: [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride
• PubChem CID: 157467974
• Molecular Formula: C43H49Cl3N10O6S4
• Molecular Weight: 1036.56 g/mol
• Exact Mass: 1034.18
• IUPAC Name: [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride
• SMILES: C.O=C(Cl)c1cscn1.O=C(N1CCOCC1)N1CC(c2cc(CCc3ccc(Cl)s3)[nH]n2)C1.O=C(N1CCOCC1)N1CC(c2cc(CCc3ccc(Cl)s3)n(C(=O)c3cscn3)n2)C1
• InChI: InChI=1S/C21H22ClN5O3S2.C17H21ClN4O2S.C4H2ClNOS.CH4/c22-19-4-3-16(32-19)2-1-15-9-17(24-27(15)20(28)18-12-31-13-23-18)14-10-26(11-14)21(29)25-5-7-30-8-6-25;18-16-4-3-14(25-16)2-1-13-9-15(20-19-13)12-10-22(11-12)17(23)21-5-7-24-8-6-21;5-4(7)3-1-8-2-6-3;/h3-4,9,12-14H,1-2,5-8,10-11H2;3-4,9,12H,1-2,5-8,10-11H2,(H,19,20);1-2H;1H4
• InChIKey: BURUKUAHEIKMHQ-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 171.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.56
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride?

The IUPAC name of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride (CID 157467974) is [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride.

What is the SMILES notation for [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride?

The canonical SMILES for [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride is C.O=C(Cl)c1cscn1.O=C(N1CCOCC1)N1CC(c2cc(CCc3ccc(Cl)s3)[nH]n2)C1.O=C(N1CCOCC1)N1CC(c2cc(CCc3ccc(Cl)s3)n(C(=O)c3cscn3)n2)C1.

What is the InChIKey of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride?

The InChIKey is BURUKUAHEIKMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3S2.C17H21ClN4O2S.C4H2ClNOS.CH4/c22-19-4-3-16(32-19)2-1-15-9-17(24-27(15)20(28)18-12-31-13-23-18)14-10-26(11-14)21(29)25-5-7-30-8-6-25;18-16-4-3-14(25-16)2-1-13-9-15(20-19-13)12-10-22(11-12)17(23)21-5-7-24-8-6-21;5-4(7)3-1-8-2-6-3;/h3-4,9,12-14H,1-2,5-8,10-11H2;3-4,9,12H,1-2,5-8,10-11H2,(H,19,20);1-2H;1H4.

What are the key properties of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride?

[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride has a molecular weight of 1036.56 g/mol, XLogP of 8.30, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-[1-(morpholine-4-carbonyl)azetidin-3-yl]pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone;[3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]azetidin-1-yl]-morpholin-4-ylmethanone;methane;1,3-thiazole-4-carbonyl chloride is sourced from PubChem (CID 157467974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).