N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C24H29N3O3S — CID 11524975

IUPACN-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2csc(N(CCCN3CCCCCC3)C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C24H29N3O3S/c1-29-20-11-9-19(10-12-20)21-18-31-24(25-21)27(23(28)22-8-6-17-30-22)16-7-15-26-13-4-2-3-5-14-26/h6,8-12,17-18H,2-5,7,13-16H2,1H3
InChIKeyVCZZTEZJAZSZDQ-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.32
Rot. Bonds8

About N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11524975) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11524975
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2csc(N(CCCN3CCCCCC3)C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C24H29N3O3S/c1-29-20-11-9-19(10-12-20)21-18-31-24(25-21)27(23(28)22-8-6-17-30-22)16-7-15-26-13-4-2-3-5-14-26/h6,8-12,17-18H,2-5,7,13-16H2,1H3
InChIKeyVCZZTEZJAZSZDQ-UHFFFAOYSA-N
XLogP5.32
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11524975) is N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is COc1ccc(-c2csc(N(CCCN3CCCCCC3)C(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is VCZZTEZJAZSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-29-20-11-9-19(10-12-20)21-18-31-24(25-21)27(23(28)22-8-6-17-30-22)16-7-15-26-13-4-2-3-5-14-26/h6,8-12,17-18H,2-5,7,13-16H2,1H3.
What are the key properties of N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11524975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).