2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide

C12H18N6OS — CID 122560144

IUPAC2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CC(NC(=O)c1cnc(N)s1)c1ncnn1C
InChIInChI=1S/C12H18N6OS/c1-7(2)4-8(10-15-6-16-18(10)3)17-11(19)9-5-14-12(13)20-9/h5-8H,4H2,1-3H3,(H2,13,14)(H,17,19)
InChIKeyVBCBSAXUPWBHSH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide

2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide (PubChem CID 122560144) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
PubChem CID122560144
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CC(NC(=O)c1cnc(N)s1)c1ncnn1C
InChIInChI=1S/C12H18N6OS/c1-7(2)4-8(10-15-6-16-18(10)3)17-11(19)9-5-14-12(13)20-9/h5-8H,4H2,1-3H3,(H2,13,14)(H,17,19)
InChIKeyVBCBSAXUPWBHSH-UHFFFAOYSA-N
XLogP1.37
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443478
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
4-(5-amino-3-pyridinyl)-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 126447050
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
3-chloro-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyridine-4-carboxamide
CID 125443382
1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide
CID 126446161
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
2,4-dimethyl-5-[[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 124852108

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide (CID 122560144) is 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide is CC(C)CC(NC(=O)c1cnc(N)s1)c1ncnn1C.
What is the InChIKey of 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VBCBSAXUPWBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-7(2)4-8(10-15-6-16-18(10)3)17-11(19)9-5-14-12(13)20-9/h5-8H,4H2,1-3H3,(H2,13,14)(H,17,19).
What are the key properties of 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122560144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).