N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C20H21N3OS — CID 77082497

IUPACN-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2nc(C(C)C)cs2)c2ccncc2)cc1
InChIInChI=1S/C20H21N3OS/c1-13(2)17-12-25-20(22-17)19(24)23-18(16-8-10-21-11-9-16)15-6-4-14(3)5-7-15/h4-13,18H,1-3H3,(H,23,24)
InChIKeyUOEOOSSZLQPZPC-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.49
Rot. Bonds5

About N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 77082497) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID77082497
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2nc(C(C)C)cs2)c2ccncc2)cc1
InChIInChI=1S/C20H21N3OS/c1-13(2)17-12-25-20(22-17)19(24)23-18(16-8-10-21-11-9-16)15-6-4-14(3)5-7-15/h4-13,18H,1-3H3,(H,23,24)
InChIKeyUOEOOSSZLQPZPC-UHFFFAOYSA-N
XLogP4.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 52517313
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696883
4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide
CID 95200610
2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
CID 72879802
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 95209344
N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 131908040
4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
CID 125436740
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97328744
4-propan-2-yl-1,3-thiazole-2-carbonyl iodide
CID 89023690
5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56712996

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 77082497) is N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1ccc(C(NC(=O)c2nc(C(C)C)cs2)c2ccncc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is UOEOOSSZLQPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13(2)17-12-25-20(22-17)19(24)23-18(16-8-10-21-11-9-16)15-6-4-14(3)5-7-15/h4-13,18H,1-3H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 77082497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).