5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide

C7H11N3OS — CID 117214875

IUPAC5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1ncsc1N
InChIInChI=1S/C7H11N3OS/c1-4(2)10-7(11)5-6(8)12-3-9-5/h3-4H,8H2,1-2H3,(H,10,11)
InChIKeyOKUJKLSGDIKFEP-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.86
Rot. Bonds2

About 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide

5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 117214875) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID117214875
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1ncsc1N
InChIInChI=1S/C7H11N3OS/c1-4(2)10-7(11)5-6(8)12-3-9-5/h3-4H,8H2,1-2H3,(H,10,11)
InChIKeyOKUJKLSGDIKFEP-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 117214967
methyl 5-amino-1,3-thiazole-4-carboxylate
CID 53408092
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
(5-amino-1,3-thiazol-4-yl)-methylsulfonylmethanone
CID 117214820
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 83697073
2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide
CID 43367236
(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 118603833
5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 121320986
4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 117213982

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 117214875) is 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1ncsc1N.
What is the InChIKey of 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OKUJKLSGDIKFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)10-7(11)5-6(8)12-3-9-5/h3-4H,8H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide?
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117214875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).