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

C18H18N4O2S2 — CID 51044326

IUPAC2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nc(C)cs2)s1
InChIInChI=1S/C18H18N4O2S2/c1-11-10-25-17(19-11)21-16(24)15-12(2)20-18(26-15)22(13(3)23)9-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,21,24)
InChIKeyHIUGLCCJHSWPGC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.02
Rot. Bonds5

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

2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51044326) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID51044326
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nc(C)cs2)s1
InChIInChI=1S/C18H18N4O2S2/c1-11-10-25-17(19-11)21-16(24)15-12(2)20-18(26-15)22(13(3)23)9-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,21,24)
InChIKeyHIUGLCCJHSWPGC-UHFFFAOYSA-N
XLogP4.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51043963
2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044205
2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51049231
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51049352
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
2-[2-methyl-N-[[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]anilino]acetic acid
CID 145488906
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 51044326) is 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nc(C)cs2)s1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HIUGLCCJHSWPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-10-25-17(19-11)21-16(24)15-12(2)20-18(26-15)22(13(3)23)9-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,21,24).
What are the key properties of 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51044326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).