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

C17H13N5S — CID 175570054

IUPAC4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
SMILESCc1cnc(Nc2ccccn2)nc1-c1ccc2ncsc2c1
InChIInChI=1S/C17H13N5S/c1-11-9-19-17(21-15-4-2-3-7-18-15)22-16(11)12-5-6-13-14(8-12)23-10-20-13/h2-10H,1H3,(H,18,19,21,22)
InChIKeyFYENLXXJXVHKNW-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.20
Rot. Bonds3

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

4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 175570054) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID175570054
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
SMILESCc1cnc(Nc2ccccn2)nc1-c1ccc2ncsc2c1
InChIInChI=1S/C17H13N5S/c1-11-9-19-17(21-15-4-2-3-7-18-15)22-16(11)12-5-6-13-14(8-12)23-10-20-13/h2-10H,1H3,(H,18,19,21,22)
InChIKeyFYENLXXJXVHKNW-UHFFFAOYSA-N
XLogP4.20
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine
CID 175570155
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)-N-[5-(4-ethylpiperazin-1-yl)oxy-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 170349693
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine
CID 175135255
4-(1,3-benzothiazol-6-yl)-5-fluoro-N-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 169073903
4-N-(1,3-benzothiazol-6-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107802039
5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 122510821
4-(1,3-benzothiazol-6-yl)-5-fluoro-N-[5-[(4-methylperoxysulfanylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 169073868
5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 69029634
6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
CID 165372322
6-(1,3-benzothiazol-6-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrimidin-4-amine
CID 70976748

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine (CID 175570054) is 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine is Cc1cnc(Nc2ccccn2)nc1-c1ccc2ncsc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is FYENLXXJXVHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-11-9-19-17(21-15-4-2-3-7-18-15)22-16(11)12-5-6-13-14(8-12)23-10-20-13/h2-10H,1H3,(H,18,19,21,22).
What are the key properties of 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine?
4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 319.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 175570054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).