5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C18H10ClF2N3OS2 — CID 18582161

IUPAC5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C18H10ClF2N3OS2/c19-15-5-4-13(26-15)17(25)24(9-11-3-1-2-6-22-11)18-23-16-12(21)7-10(20)8-14(16)27-18/h1-8H,9H2
InChIKeyBFXNMURPINHREZ-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.53
Rot. Bonds4

About 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 18582161) has the molecular formula C18H10ClF2N3OS2 and a molecular weight of 421.88 g/mol. Its IUPAC name is 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID18582161
Molecular FormulaC18H10ClF2N3OS2
Molecular Weight421.88 g/mol
Exact Mass420.99
IUPAC Name5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C18H10ClF2N3OS2/c19-15-5-4-13(26-15)17(25)24(9-11-3-1-2-6-22-11)18-23-16-12(21)7-10(20)8-14(16)27-18/h1-8H,9H2
InChIKeyBFXNMURPINHREZ-UHFFFAOYSA-N
XLogP5.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-(pyridin-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3561768
N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2474590
N-(4-chlorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 16032368
N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2114872
(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)(5-chlorothiophen-2-yl)methanone
CID 5310198
(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 7136406
5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 7178753
(4-(4,6-Difluorobenzo[d]thiazol-2-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 7539638
2,5-dichloro-N-(2-(dimethylamino)ethyl)-N-(6-fluorobenzo[d]thiazol-2-yl)thiophene-3-carboxamide hydrochloride
CID 12006157
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 16032585
N-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethyl)butyramide
CID 18576679
N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 7163148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 18582161) is 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BFXNMURPINHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N3OS2/c19-15-5-4-13(26-15)17(25)24(9-11-3-1-2-6-22-11)18-23-16-12(21)7-10(20)8-14(16)27-18/h1-8H,9H2.
What are the key properties of 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 421.88 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18582161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).