N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide

C14H10ClN3OS — CID 103893877

IUPACN-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc3ncsc3c2)cn1
InChIInChI=1S/C14H10ClN3OS/c1-8-4-11(15)10(6-16-8)14(19)18-9-2-3-12-13(5-9)20-7-17-12/h2-7H,1H3,(H,18,19)
InChIKeyWKOCVKXXBSLURQ-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.91
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide

N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 103893877) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID103893877
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc3ncsc3c2)cn1
InChIInChI=1S/C14H10ClN3OS/c1-8-4-11(15)10(6-16-8)14(19)18-9-2-3-12-13(5-9)20-7-17-12/h2-7H,1H3,(H,18,19)
InChIKeyWKOCVKXXBSLURQ-UHFFFAOYSA-N
XLogP3.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide (CID 103893877) is N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2ccc3ncsc3c2)cn1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is WKOCVKXXBSLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c1-8-4-11(15)10(6-16-8)14(19)18-9-2-3-12-13(5-9)20-7-17-12/h2-7H,1H3,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide?
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 103893877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).