N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide

C16H17N5OS — CID 97243759

IUPACN-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ncc(C)s1
InChIInChI=1S/C16H17N5OS/c1-3-14(16-17-10-11(2)23-16)19-15(22)12-5-4-6-13(9-12)21-8-7-18-20-21/h4-10,14H,3H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyMYZBJTXRTFOZDF-CQSZACIVSA-N
MW327.41 g/mol
LogP2.91
Rot. Bonds5

About N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide

N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide (PubChem CID 97243759) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
PubChem CID97243759
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ncc(C)s1
InChIInChI=1S/C16H17N5OS/c1-3-14(16-17-10-11(2)23-16)19-15(22)12-5-4-6-13(9-12)21-8-7-18-20-21/h4-10,14H,3H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyMYZBJTXRTFOZDF-CQSZACIVSA-N
XLogP2.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
CID 75389637
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 86790045
N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816183
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
N-(1-methyl-4-nitropyrazol-5-yl)-3-(triazol-1-yl)benzamide
CID 99834148
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide
CID 75514102
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-(tetrazol-1-yl)benzamide
CID 55902695
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
CID 97025472

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide (CID 97243759) is N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide is CC[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ncc(C)s1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide?
The InChIKey is MYZBJTXRTFOZDF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-14(16-17-10-11(2)23-16)19-15(22)12-5-4-6-13(9-12)21-8-7-18-20-21/h4-10,14H,3H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide?
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide has a molecular weight of 327.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 97243759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).