N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide

C16H20N4OS — CID 124962672

IUPACN-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CNCCN2Cc2cscn2)c1
InChIInChI=1S/C16H20N4OS/c1-17-16(21)13-4-2-3-12(7-13)15-8-18-5-6-20(15)9-14-10-22-11-19-14/h2-4,7,10-11,15,18H,5-6,8-9H2,1H3,(H,17,21)/t15-/m0/s1
InChIKeyHKNAKLGRHDGOMM-HNNXBMFYSA-N
MW316.43 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide

N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide (PubChem CID 124962672) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
PubChem CID124962672
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CNCCN2Cc2cscn2)c1
InChIInChI=1S/C16H20N4OS/c1-17-16(21)13-4-2-3-12(7-13)15-8-18-5-6-20(15)9-14-10-22-11-19-14/h2-4,7,10-11,15,18H,5-6,8-9H2,1H3,(H,17,21)/t15-/m0/s1
InChIKeyHKNAKLGRHDGOMM-HNNXBMFYSA-N
XLogP1.65
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109496
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122331
3-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124998546

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide (CID 124962672) is N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cscn2)c1.
What is the InChIKey of N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide?
The InChIKey is HKNAKLGRHDGOMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-17-16(21)13-4-2-3-12(7-13)15-8-18-5-6-20(15)9-14-10-22-11-19-14/h2-4,7,10-11,15,18H,5-6,8-9H2,1H3,(H,17,21)/t15-/m0/s1.
What are the key properties of N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide?
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide has a molecular weight of 316.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide is sourced from PubChem (CID 124962672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).