5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C12H11ClN4OS — CID 107241316

IUPAC5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cnc(Cl)cn1
InChIInChI=1S/C12H11ClN4OS/c13-10-6-14-8(5-15-10)11(18)17-12-16-7-3-1-2-4-9(7)19-12/h5-6H,1-4H2,(H,16,17,18)
InChIKeySSTLZLUWEFVYMB-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.72
Rot. Bonds2

About 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 107241316) has the molecular formula C12H11ClN4OS and a molecular weight of 294.77 g/mol. Its IUPAC name is 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID107241316
Molecular FormulaC12H11ClN4OS
Molecular Weight294.77 g/mol
Exact Mass294.03
IUPAC Name5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cnc(Cl)cn1
InChIInChI=1S/C12H11ClN4OS/c13-10-6-14-8(5-15-10)11(18)17-12-16-7-3-1-2-4-9(7)19-12/h5-6H,1-4H2,(H,16,17,18)
InChIKeySSTLZLUWEFVYMB-UHFFFAOYSA-N
XLogP2.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640589
5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 63717460
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
5-(ethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640590
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104640909
5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 7948503
6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62161403
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
2,3-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105381051
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 107241316) is 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is SSTLZLUWEFVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4OS/c13-10-6-14-8(5-15-10)11(18)17-12-16-7-3-1-2-4-9(7)19-12/h5-6H,1-4H2,(H,16,17,18).
What are the key properties of 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 294.77 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107241316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).