4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide

C21H23N3OS — CID 126428997

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide
SMILESCC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1
InChIInChI=1S/C21H23N3OS/c1-5-19(18-8-6-7-13-22-18)24(4)21(25)17-11-9-16(10-12-17)20-14(2)23-15(3)26-20/h6-13,19H,5H2,1-4H3/t19-/m0/s1
InChIKeyJESGBHPFMRRADN-IBGZPJMESA-N
MW365.50 g/mol
LogP5.05
Rot. Bonds5

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide (PubChem CID 126428997) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide
PubChem CID126428997
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide
SMILESCC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1
InChIInChI=1S/C21H23N3OS/c1-5-19(18-8-6-7-13-22-18)24(4)21(25)17-11-9-16(10-12-17)20-14(2)23-15(3)26-20/h6-13,19H,5H2,1-4H3/t19-/m0/s1
InChIKeyJESGBHPFMRRADN-IBGZPJMESA-N
XLogP5.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
5-(4-ethyl-3-methoxyphenyl)-2,4-dimethyl-1,3-thiazole
CID 90292646
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 97132449
6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 99952767

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide (CID 126428997) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide is CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide?
The InChIKey is JESGBHPFMRRADN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3OS/c1-5-19(18-8-6-7-13-22-18)24(4)21(25)17-11-9-16(10-12-17)20-14(2)23-15(3)26-20/h6-13,19H,5H2,1-4H3/t19-/m0/s1.
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide has a molecular weight of 365.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyridin-2-ylpropyl]benzamide is sourced from PubChem (CID 126428997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).