3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

C18H17ClFN3OS2 — CID 30183181

IUPAC3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C18H17ClFN3OS2/c19-15-13-5-4-11(20)8-14(13)26-16(15)17(24)22-18-21-12(10-25-18)9-23-6-2-1-3-7-23/h4-5,8,10H,1-3,6-7,9H2,(H,21,22,24)
InChIKeyYGFSGHGZOPFJGX-UHFFFAOYSA-N
MW409.94 g/mol
LogP5.39
Rot. Bonds4

About 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 30183181) has the molecular formula C18H17ClFN3OS2 and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID30183181
Molecular FormulaC18H17ClFN3OS2
Molecular Weight409.94 g/mol
Exact Mass409.05
IUPAC Name3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C18H17ClFN3OS2/c19-15-13-5-4-11(20)8-14(13)26-16(15)17(24)22-18-21-12(10-25-18)9-23-6-2-1-3-7-23/h4-5,8,10H,1-3,6-7,9H2,(H,21,22,24)
InChIKeyYGFSGHGZOPFJGX-UHFFFAOYSA-N
XLogP5.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-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 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 30183181) is 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is YGFSGHGZOPFJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3OS2/c19-15-13-5-4-11(20)8-14(13)26-16(15)17(24)22-18-21-12(10-25-18)9-23-6-2-1-3-7-23/h4-5,8,10H,1-3,6-7,9H2,(H,21,22,24).
What are the key properties of 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 409.94 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30183181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).