N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide

C19H19ClN6O4S2 — CID 58893846

IUPACN'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide
SMILESCN1CCc2nc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)s3)c3cnco3)sc2C1
InChIInChI=1S/C19H19ClN6O4S2/c1-26-5-4-10-13(8-26)31-19(24-10)18(29)23-11(12-7-21-9-30-12)6-22-16(27)17(28)25-15-3-2-14(20)32-15/h2-3,7,9,11H,4-6,8H2,1H3,(H,22,27)(H,23,29)(H,25,28)/t11-/m0/s1
InChIKeyYQDJKQDXTATACU-NSHDSACASA-N
MW494.99 g/mol
LogP2.06
Rot. Bonds6

About N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide

N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide (PubChem CID 58893846) has the molecular formula C19H19ClN6O4S2 and a molecular weight of 494.99 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide
PubChem CID58893846
Molecular FormulaC19H19ClN6O4S2
Molecular Weight494.99 g/mol
Exact Mass494.06
IUPAC NameN'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide
SMILESCN1CCc2nc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)s3)c3cnco3)sc2C1
InChIInChI=1S/C19H19ClN6O4S2/c1-26-5-4-10-13(8-26)31-19(24-10)18(29)23-11(12-7-21-9-30-12)6-22-16(27)17(28)25-15-3-2-14(20)32-15/h2-3,7,9,11H,4-6,8H2,1H3,(H,22,27)(H,23,29)(H,25,28)/t11-/m0/s1
InChIKeyYQDJKQDXTATACU-NSHDSACASA-N
XLogP2.06
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.99
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide (CID 58893846) is N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide is CN1CCc2nc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)s3)c3cnco3)sc2C1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
The InChIKey is YQDJKQDXTATACU-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClN6O4S2/c1-26-5-4-10-13(8-26)31-19(24-10)18(29)23-11(12-7-21-9-30-12)6-22-16(27)17(28)25-15-3-2-14(20)32-15/h2-3,7,9,11H,4-6,8H2,1H3,(H,22,27)(H,23,29)(H,25,28)/t11-/m0/s1.
What are the key properties of N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide has a molecular weight of 494.99 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorothiophen-2-yl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide is sourced from PubChem (CID 58893846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).