N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide

C12H16ClN3O3S2 — CID 61045042

IUPACN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1)C1CC1
InChIInChI=1S/C12H16ClN3O3S2/c13-12-14-7-10(20-12)21(18,19)16-5-3-9(4-6-16)15-11(17)8-1-2-8/h7-9H,1-6H2,(H,15,17)
InChIKeyCHAZLDZSBRINEL-UHFFFAOYSA-N
MW349.87 g/mol
LogP1.48
Rot. Bonds4

About N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 61045042) has the molecular formula C12H16ClN3O3S2 and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID61045042
Molecular FormulaC12H16ClN3O3S2
Molecular Weight349.87 g/mol
Exact Mass349.03
IUPAC NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1)C1CC1
InChIInChI=1S/C12H16ClN3O3S2/c13-12-14-7-10(20-12)21(18,19)16-5-3-9(4-6-16)15-11(17)8-1-2-8/h7-9H,1-6H2,(H,15,17)
InChIKeyCHAZLDZSBRINEL-UHFFFAOYSA-N
XLogP1.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide 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-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide (CID 61045042) is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1)C1CC1.
What is the InChIKey of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is CHAZLDZSBRINEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S2/c13-12-14-7-10(20-12)21(18,19)16-5-3-9(4-6-16)15-11(17)8-1-2-8/h7-9H,1-6H2,(H,15,17).
What are the key properties of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 349.87 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 61045042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).