2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C20H20N4O2S — CID 51048692

IUPAC2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C20H20N4O2S/c1-14-18(19(26)22-12-17-9-6-10-21-11-17)27-20(23-14)24(15(2)25)13-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyNZUJPGRYINSAOG-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.33
Rot. Bonds6

About 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 51048692) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID51048692
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C20H20N4O2S/c1-14-18(19(26)22-12-17-9-6-10-21-11-17)27-20(23-14)24(15(2)25)13-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyNZUJPGRYINSAOG-UHFFFAOYSA-N
XLogP3.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044326
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24958965
2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 123928883
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 89233057
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 51048692) is 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCc2cccnc2)s1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NZUJPGRYINSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-18(19(26)22-12-17-9-6-10-21-11-17)27-20(23-14)24(15(2)25)13-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51048692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).