3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide

C12H13ClN4OS2 — CID 103378645

IUPAC3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCc2ccc(Cl)s2)c1C(=O)NC1CC1
InChIInChI=1S/C12H13ClN4OS2/c13-8-4-3-7(19-8)5-15-12-9(10(14)17-20-12)11(18)16-6-1-2-6/h3-4,6,15H,1-2,5H2,(H2,14,17)(H,16,18)
InChIKeyMOALXYSPTIDNOW-UHFFFAOYSA-N
MW328.85 g/mol
LogP2.94
Rot. Bonds5

About 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide

3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103378645) has the molecular formula C12H13ClN4OS2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103378645
Molecular FormulaC12H13ClN4OS2
Molecular Weight328.85 g/mol
Exact Mass328.02
IUPAC Name3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCc2ccc(Cl)s2)c1C(=O)NC1CC1
InChIInChI=1S/C12H13ClN4OS2/c13-8-4-3-7(19-8)5-15-12-9(10(14)17-20-12)11(18)16-6-1-2-6/h3-4,6,15H,1-2,5H2,(H2,14,17)(H,16,18)
InChIKeyMOALXYSPTIDNOW-UHFFFAOYSA-N
XLogP2.94
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138
3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378557
3-amino-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380199
3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106044587
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103384003
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
CID 106218893

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103378645) is 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide is Nc1nsc(NCc2ccc(Cl)s2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is MOALXYSPTIDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS2/c13-8-4-3-7(19-8)5-15-12-9(10(14)17-20-12)11(18)16-6-1-2-6/h3-4,6,15H,1-2,5H2,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 328.85 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).