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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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).