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

C12H18N6OS — CID 125443478

IUPAC2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1csc(N)n1)c1ncnn1C
InChIInChI=1S/C12H18N6OS/c1-7(2)4-8(10-14-6-15-18(10)3)16-11(19)9-5-20-12(13)17-9/h5-8H,4H2,1-3H3,(H2,13,17)(H,16,19)/t8-/m1/s1
InChIKeyPGWNHSXFUGNHNX-MRVPVSSYSA-N
MW294.38 g/mol
LogP1.37
Rot. Bonds5

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

2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide (PubChem CID 125443478) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
PubChem CID125443478
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1csc(N)n1)c1ncnn1C
InChIInChI=1S/C12H18N6OS/c1-7(2)4-8(10-14-6-15-18(10)3)16-11(19)9-5-20-12(13)17-9/h5-8H,4H2,1-3H3,(H2,13,17)(H,16,19)/t8-/m1/s1
InChIKeyPGWNHSXFUGNHNX-MRVPVSSYSA-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-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide with MolForge

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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-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 122557720
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
4-(5-amino-3-pyridinyl)-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 126447050
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
3-chloro-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyridine-4-carboxamide
CID 125443382
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide (CID 125443478) is 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide is CC(C)C[C@@H](NC(=O)c1csc(N)n1)c1ncnn1C.
What is the InChIKey of 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PGWNHSXFUGNHNX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-7(2)4-8(10-14-6-15-18(10)3)16-11(19)9-5-20-12(13)17-9/h5-8H,4H2,1-3H3,(H2,13,17)(H,16,19)/t8-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-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-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125443478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).