4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine

C17H13N5OS — CID 175570155

IUPAC4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine
SMILESCOc1cnc(Nc2ccccn2)nc1-c1ccc2ncsc2c1
InChIInChI=1S/C17H13N5OS/c1-23-13-9-19-17(21-15-4-2-3-7-18-15)22-16(13)11-5-6-12-14(8-11)24-10-20-12/h2-10H,1H3,(H,18,19,21,22)
InChIKeyDISLZOKALDVSJS-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.90
Rot. Bonds4

About 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine

4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 175570155) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID175570155
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine
SMILESCOc1cnc(Nc2ccccn2)nc1-c1ccc2ncsc2c1
InChIInChI=1S/C17H13N5OS/c1-23-13-9-19-17(21-15-4-2-3-7-18-15)22-16(13)11-5-6-12-14(8-11)24-10-20-12/h2-10H,1H3,(H,18,19,21,22)
InChIKeyDISLZOKALDVSJS-UHFFFAOYSA-N
XLogP3.90
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
CID 175570054
[6-[[4-(1,3-benzothiazol-5-yl)-5-methoxypyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
CID 171347880
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
4-(1,3-benzothiazol-6-yl)-N-[5-(4-ethylpiperazin-1-yl)oxy-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 170349693
N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
CID 175095374
4-(1,3-benzothiazol-6-yl)-5-fluoro-N-[5-[(4-methylperoxysulfanylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 169073868
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine
CID 175135255
6-methoxy-1,3-benzothiazole;toluene
CID 70544898
6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
CID 165372322
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine (CID 175570155) is 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine is COc1cnc(Nc2ccccn2)nc1-c1ccc2ncsc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is DISLZOKALDVSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-23-13-9-19-17(21-15-4-2-3-7-18-15)22-16(13)11-5-6-12-14(8-11)24-10-20-12/h2-10H,1H3,(H,18,19,21,22).
What are the key properties of 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine?
4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 335.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 175570155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).