N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide

C20H21N3O2S2 — CID 26893935

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)sc1C
InChIInChI=1S/C20H21N3O2S2/c1-4-5-15-10-18(27-12(15)2)19(25)23-20-22-17(11-26-20)14-6-8-16(9-7-14)21-13(3)24/h6-11H,4-5H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyNHZZVHNIWIQRTJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.34
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 26893935) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID26893935
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)sc1C
InChIInChI=1S/C20H21N3O2S2/c1-4-5-15-10-18(27-12(15)2)19(25)23-20-22-17(11-26-20)14-6-8-16(9-7-14)21-13(3)24/h6-11H,4-5H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyNHZZVHNIWIQRTJ-UHFFFAOYSA-N
XLogP5.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418699
4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 40676303
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propylthiophene-2-carboxamide
CID 29324093
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
CID 52694784

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide (CID 26893935) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)sc1C.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is NHZZVHNIWIQRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-4-5-15-10-18(27-12(15)2)19(25)23-20-22-17(11-26-20)14-6-8-16(9-7-14)21-13(3)24/h6-11H,4-5H2,1-3H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 26893935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).