N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C15H17ClN4O3S2 — CID 90784373

IUPACN-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)Nc1nc(CNC(=O)C2(CO)CC2)cs1
InChIInChI=1S/C15H17ClN4O3S2/c16-11-2-1-10(25-11)6-18-13(23)20-14-19-9(7-24-14)5-17-12(22)15(8-21)3-4-15/h1-2,7,21H,3-6,8H2,(H,17,22)(H2,18,19,20,23)
InChIKeyYSQMKXBQGILABZ-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.57
Rot. Bonds7

About N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 90784373) has the molecular formula C15H17ClN4O3S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID90784373
Molecular FormulaC15H17ClN4O3S2
Molecular Weight400.91 g/mol
Exact Mass400.04
IUPAC NameN-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)Nc1nc(CNC(=O)C2(CO)CC2)cs1
InChIInChI=1S/C15H17ClN4O3S2/c16-11-2-1-10(25-11)6-18-13(23)20-14-19-9(7-24-14)5-17-12(22)15(8-21)3-4-15/h1-2,7,21H,3-6,8H2,(H,17,22)(H2,18,19,20,23)
InChIKeyYSQMKXBQGILABZ-UHFFFAOYSA-N
XLogP2.57
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-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-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 90784373) is N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is O=C(NCc1ccc(Cl)s1)Nc1nc(CNC(=O)C2(CO)CC2)cs1.
What is the InChIKey of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is YSQMKXBQGILABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S2/c16-11-2-1-10(25-11)6-18-13(23)20-14-19-9(7-24-14)5-17-12(22)15(8-21)3-4-15/h1-2,7,21H,3-6,8H2,(H,17,22)(H2,18,19,20,23).
What are the key properties of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90784373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).