6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine

C17H17N5OS — CID 87944456

IUPAC6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCC(C)Oc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H17N5OS/c1-10(2)23-13-6-7-18-8-11(13)20-17-21-16-14(24-17)5-4-12-15(16)19-9-22(12)3/h4-10H,1-3H3,(H,20,21)
InChIKeyQKESTNLFDBUKTH-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.11
Rot. Bonds4

About 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine

6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 87944456) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID87944456
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCC(C)Oc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H17N5OS/c1-10(2)23-13-6-7-18-8-11(13)20-17-21-16-14(24-17)5-4-12-15(16)19-9-22(12)3/h4-10H,1-3H3,(H,20,21)
InChIKeyQKESTNLFDBUKTH-UHFFFAOYSA-N
XLogP4.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944343
4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
CID 87944232
N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
CID 86665499
N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine
CID 91416949
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944171
N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123442510
4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane
CID 144500129
3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride
CID 87944217
4-propan-2-yloxy-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide
CID 87945752
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
1-(1-methylbenzimidazol-4-yl)-3-(5-methylsulfonyl-2-propan-2-yloxyphenyl)thiourea
CID 86665478

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine (CID 87944456) is 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine is CC(C)Oc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is QKESTNLFDBUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-10(2)23-13-6-7-18-8-11(13)20-17-21-16-14(24-17)5-4-12-15(16)19-9-22(12)3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 339.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 87944456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).