N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide

C23H29N3O2S2 — CID 145485755

IUPACN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide
SMILESCCC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)s1
InChIInChI=1S/C23H29N3O2S2/c1-3-16(2)8-9-17-6-4-5-7-20(17)24-14-19-10-11-21(30-19)22(28)26-23-25-18(12-13-27)15-29-23/h4-7,10-11,15-16,24,27H,3,8-9,12-14H2,1-2H3,(H,25,26,28)
InChIKeyPBQHHXRNSUYZBG-UHFFFAOYSA-N
MW443.64 g/mol
LogP5.58
Rot. Bonds11

About N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide

N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide (PubChem CID 145485755) has the molecular formula C23H29N3O2S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide
PubChem CID145485755
Molecular FormulaC23H29N3O2S2
Molecular Weight443.64 g/mol
Exact Mass443.17
IUPAC NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide
SMILESCCC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)s1
InChIInChI=1S/C23H29N3O2S2/c1-3-16(2)8-9-17-6-4-5-7-20(17)24-14-19-10-11-21(30-19)22(28)26-23-25-18(12-13-27)15-29-23/h4-7,10-11,15-16,24,27H,3,8-9,12-14H2,1-2H3,(H,25,26,28)
InChIKeyPBQHHXRNSUYZBG-UHFFFAOYSA-N
XLogP5.58
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[5-[(2-butylanilino)methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-2-hydroxyacetic acid
CID 145485648
ethyl 2-[2-[[5-[[2-(3-chloropropyl)anilino]methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-3-hydroxypropanoate
CID 145485595
2-[2-[[4-[[2-(3-ethylpentyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 25122839
2-[2-[[5-[[2-(3-chloropropyl)-5-fluoroanilino]methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 145485798
ethyl 2-[2-[[5-[(2-butylanilino)methyl]-3-methylthiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 145485647
2-[2-[[5-[(N-methylanilino)methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 145485655
N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
CID 143246003
2-[2-[[2-[(2-octylanilino)methyl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 145485784
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[(2-pyridin-2-ylanilino)methyl]benzamide
CID 145488903
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
ethyl 2-[2-[[5-[(2-hexylanilino)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 145485645
N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
CID 60716873

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide (CID 145485755) is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide is CCC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)s1.
What is the InChIKey of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide?
The InChIKey is PBQHHXRNSUYZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S2/c1-3-16(2)8-9-17-6-4-5-7-20(17)24-14-19-10-11-21(30-19)22(28)26-23-25-18(12-13-27)15-29-23/h4-7,10-11,15-16,24,27H,3,8-9,12-14H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide?
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide has a molecular weight of 443.64 g/mol, XLogP of 5.58, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(3-methylpentyl)anilino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 145485755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).