N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H18ClN3OS — CID 41490350

IUPACN-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3OS/c1-3-15(13-7-9-14(20)10-8-13)23-18(24)17-12(2)22-19(25-17)16-6-4-5-11-21-16/h4-11,15H,3H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyFYOUUYFPJLABLB-HNNXBMFYSA-N
MW371.89 g/mol
LogP5.05
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 41490350) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID41490350
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3OS/c1-3-15(13-7-9-14(20)10-8-13)23-18(24)17-12(2)22-19(25-17)16-6-4-5-11-21-16/h4-11,15H,3H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyFYOUUYFPJLABLB-HNNXBMFYSA-N
XLogP5.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927668
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
4-methyl-2-pyridin-2-yl-N'-(2,4,6-trichlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 26720800
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 43033501
4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 51950170
N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55799328

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 41490350) is N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FYOUUYFPJLABLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-3-15(13-7-9-14(20)10-8-13)23-18(24)17-12(2)22-19(25-17)16-6-4-5-11-21-16/h4-11,15H,3H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 41490350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).