2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide

C8H11N3OS — CID 175794339

IUPAC2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide
SMILESCC1(Nc2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C8H11N3OS/c1-8(2-3-8)11-7-10-4-5(13-7)6(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11)
InChIKeyHUJITGOCPJQUHL-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.21
Rot. Bonds3

About 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide

2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 175794339) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID175794339
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide
SMILESCC1(Nc2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C8H11N3OS/c1-8(2-3-8)11-7-10-4-5(13-7)6(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11)
InChIKeyHUJITGOCPJQUHL-UHFFFAOYSA-N
XLogP1.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide (CID 175794339) is 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide is CC1(Nc2ncc(C(N)=O)s2)CC1.
What is the InChIKey of 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HUJITGOCPJQUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-8(2-3-8)11-7-10-4-5(13-7)6(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide?
2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175794339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).