N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine

C14H11N5OS — CID 44523387

IUPACN-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3nc4ccncc4[nH]3)sc2c1
InChIInChI=1S/C14H11N5OS/c1-20-8-2-3-10-12(6-8)21-14(18-10)19-13-16-9-4-5-15-7-11(9)17-13/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyUPWKSPSZMNVKQO-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.32
Rot. Bonds3

About N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine

N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 44523387) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID44523387
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3nc4ccncc4[nH]3)sc2c1
InChIInChI=1S/C14H11N5OS/c1-20-8-2-3-10-12(6-8)21-14(18-10)19-13-16-9-4-5-15-7-11(9)17-13/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyUPWKSPSZMNVKQO-UHFFFAOYSA-N
XLogP3.32
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 114701205
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine
CID 80653006
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile
CID 118902934

Frequently Asked Questions

What is the IUPAC name of N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine (CID 44523387) is N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3nc4ccncc4[nH]3)sc2c1.
What is the InChIKey of N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is UPWKSPSZMNVKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-20-8-2-3-10-12(6-8)21-14(18-10)19-13-16-9-4-5-15-7-11(9)17-13/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 44523387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).