2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide

C10H12N6OS — CID 54958511

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
SMILESNc1ncn(CC(=O)Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C10H12N6OS/c11-9-12-5-16(15-9)3-8(17)14-10-13-7(4-18-10)6-1-2-6/h4-6H,1-3H2,(H2,11,15)(H,13,14,17)
InChIKeyVKOANYDEENUPLT-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.83
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide (PubChem CID 54958511) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
PubChem CID54958511
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
SMILESNc1ncn(CC(=O)Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C10H12N6OS/c11-9-12-5-16(15-9)3-8(17)14-10-13-7(4-18-10)6-1-2-6/h4-6H,1-3H2,(H2,11,15)(H,13,14,17)
InChIKeyVKOANYDEENUPLT-UHFFFAOYSA-N
XLogP0.83
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47283649
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-cyclopentyloxy-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47243063
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
CID 103155653
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65353990
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide;hydrochloride
CID 120589106
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide (CID 54958511) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide is Nc1ncn(CC(=O)Nc2nc(C3CC3)cs2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VKOANYDEENUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c11-9-12-5-16(15-9)3-8(17)14-10-13-7(4-18-10)6-1-2-6/h4-6H,1-3H2,(H2,11,15)(H,13,14,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 54958511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).