6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one

C21H23N5O2S — CID 163220074

IUPAC6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
SMILESCc1nc2cc(C)c(Nc3cc4c(cn3)n(C)c(=O)n4C3CCOCC3)cc2s1
InChIInChI=1S/C21H23N5O2S/c1-12-8-16-19(29-13(2)23-16)9-15(12)24-20-10-17-18(11-22-20)25(3)21(27)26(17)14-4-6-28-7-5-14/h8-11,14H,4-7H2,1-3H3,(H,22,24)
InChIKeyMUTYUVQAQQDVIB-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.06
Rot. Bonds3

About 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one

6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 163220074) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID163220074
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
SMILESCc1nc2cc(C)c(Nc3cc4c(cn3)n(C)c(=O)n4C3CCOCC3)cc2s1
InChIInChI=1S/C21H23N5O2S/c1-12-8-16-19(29-13(2)23-16)9-15(12)24-20-10-17-18(11-22-20)25(3)21(27)26(17)14-4-6-28-7-5-14/h8-11,14H,4-7H2,1-3H3,(H,22,24)
InChIKeyMUTYUVQAQQDVIB-UHFFFAOYSA-N
XLogP4.06
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one (CID 163220074) is 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one is Cc1nc2cc(C)c(Nc3cc4c(cn3)n(C)c(=O)n4C3CCOCC3)cc2s1.
What is the InChIKey of 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is MUTYUVQAQQDVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-12-8-16-19(29-13(2)23-16)9-15(12)24-20-10-17-18(11-22-20)25(3)21(27)26(17)14-4-6-28-7-5-14/h8-11,14H,4-7H2,1-3H3,(H,22,24).
What are the key properties of 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 409.52 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).