N-pyrimidin-2-yl-1,3-benzothiazol-2-amine

C11H8N4S — CID 25239704

IUPACN-pyrimidin-2-yl-1,3-benzothiazol-2-amine
SMILESc1cnc(Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C11H8N4S/c1-2-5-9-8(4-1)14-11(16-9)15-10-12-6-3-7-13-10/h1-7H,(H,12,13,14,15)
InChIKeyCJTOFJMUMLSNLZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.83
Rot. Bonds2

About N-pyrimidin-2-yl-1,3-benzothiazol-2-amine

N-pyrimidin-2-yl-1,3-benzothiazol-2-amine (PubChem CID 25239704) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-pyrimidin-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-1,3-benzothiazol-2-amine
PubChem CID25239704
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC NameN-pyrimidin-2-yl-1,3-benzothiazol-2-amine
SMILESc1cnc(Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C11H8N4S/c1-2-5-9-8(4-1)14-11(16-9)15-10-12-6-3-7-13-10/h1-7H,(H,12,13,14,15)
InChIKeyCJTOFJMUMLSNLZ-UHFFFAOYSA-N
XLogP2.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine
CID 61375649
N'-(1,3-benzothiazol-2-yl)-N-pyrimidin-2-ylpropane-1,3-diamine
CID 47370704
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
N'-(1,3-benzothiazol-2-yl)-N-pyridin-2-ylethane-1,2-diamine
CID 37105021
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 175655892
N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-pyrimidin-2-yl-1,3-benzothiazol-2-amine (CID 25239704) is N-pyrimidin-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-1,3-benzothiazol-2-amine is c1cnc(Nc2nc3ccccc3s2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is CJTOFJMUMLSNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-5-9-8(4-1)14-11(16-9)15-10-12-6-3-7-13-10/h1-7H,(H,12,13,14,15).
What are the key properties of N-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 228.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 25239704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).