N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine

C12H10N4S — CID 941737

IUPACN-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccnc(Nc2nc3ccccc3s2)n1
InChIInChI=1S/C12H10N4S/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyYEKJCCQGZBAANY-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.14
Rot. Bonds2

About N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine

N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 941737) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
PubChem CID941737
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC NameN-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccnc(Nc2nc3ccccc3s2)n1
InChIInChI=1S/C12H10N4S/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyYEKJCCQGZBAANY-UHFFFAOYSA-N
XLogP3.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine (CID 941737) is N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine is Cc1ccnc(Nc2nc3ccccc3s2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is YEKJCCQGZBAANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine?
N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 242.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 941737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).