N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C17H13ClFN3O3S3 — CID 90527277

IUPACN-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)c1cccs1
InChIInChI=1S/C17H13ClFN3O3S3/c18-11-8-10(3-4-12(11)19)28(24,25)22-6-5-13-15(9-22)27-17(20-13)21-16(23)14-2-1-7-26-14/h1-4,7-8H,5-6,9H2,(H,20,21,23)
InChIKeyJKXQSZRCVPYDMG-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.00
Rot. Bonds4

About N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90527277) has the molecular formula C17H13ClFN3O3S3 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
PubChem CID90527277
Molecular FormulaC17H13ClFN3O3S3
Molecular Weight457.96 g/mol
Exact Mass456.98
IUPAC NameN-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)c1cccs1
InChIInChI=1S/C17H13ClFN3O3S3/c18-11-8-10(3-4-12(11)19)28(24,25)22-6-5-13-15(9-22)27-17(20-13)21-16(23)14-2-1-7-26-14/h1-4,7-8H,5-6,9H2,(H,20,21,23)
InChIKeyJKXQSZRCVPYDMG-UHFFFAOYSA-N
XLogP4.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527279
N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 56765125
N-[5-(2-methyl-5-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527270
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
N-[5-[(2,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527200
N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526936
N-(5-naphthalen-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide
CID 90528682
N-[5-[(3,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527202
N-[(4-chlorophenyl)methyl]-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527227
N-[5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528722
2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832475
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90527277) is N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)c1cccs1.
What is the InChIKey of N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The InChIKey is JKXQSZRCVPYDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S3/c18-11-8-10(3-4-12(11)19)28(24,25)22-6-5-13-15(9-22)27-17(20-13)21-16(23)14-2-1-7-26-14/h1-4,7-8H,5-6,9H2,(H,20,21,23).
What are the key properties of N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90527277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).