[2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid

C26H23N3O4S2 — CID 140576462

IUPAC[2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3nccs3)CCOCC2)cc1
InChIInChI=1S/C26H23N3O4S2/c30-23(28-21-16-18(22-2-1-14-34-22)5-8-20(21)29-25(31)32)17-3-6-19(7-4-17)26(9-12-33-13-10-26)24-27-11-15-35-24/h1-8,11,14-16,29H,9-10,12-13H2,(H,28,30)(H,31,32)
InChIKeyKVCDIHHHJFWNIP-UHFFFAOYSA-N
MW505.62 g/mol
LogP6.31
Rot. Bonds6

About [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid

[2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid (PubChem CID 140576462) has the molecular formula C26H23N3O4S2 and a molecular weight of 505.62 g/mol. Its IUPAC name is [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid
PubChem CID140576462
Molecular FormulaC26H23N3O4S2
Molecular Weight505.62 g/mol
Exact Mass505.11
IUPAC Name[2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3nccs3)CCOCC2)cc1
InChIInChI=1S/C26H23N3O4S2/c30-23(28-21-16-18(22-2-1-14-34-22)5-8-20(21)29-25(31)32)17-3-6-19(7-4-17)26(9-12-33-13-10-26)24-27-11-15-35-24/h1-8,11,14-16,29H,9-10,12-13H2,(H,28,30)(H,31,32)
InChIKeyKVCDIHHHJFWNIP-UHFFFAOYSA-N
XLogP6.31
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid 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 [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid?
The IUPAC name of [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid (CID 140576462) is [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid.
What is the SMILES notation for [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid?
The canonical SMILES for [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid is O=C(O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3nccs3)CCOCC2)cc1.
What is the InChIKey of [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid?
The InChIKey is KVCDIHHHJFWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S2/c30-23(28-21-16-18(22-2-1-14-34-22)5-8-20(21)29-25(31)32)17-3-6-19(7-4-17)26(9-12-33-13-10-26)24-27-11-15-35-24/h1-8,11,14-16,29H,9-10,12-13H2,(H,28,30)(H,31,32).
What are the key properties of [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid?
[2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid has a molecular weight of 505.62 g/mol, XLogP of 6.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid is sourced from PubChem (CID 140576462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).