N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine

C14H11BrN4S — CID 107800218

IUPACN-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
SMILESBrc1cc(Nc2ccc3ncsc3c2)nc(C2CC2)n1
InChIInChI=1S/C14H11BrN4S/c15-12-6-13(19-14(18-12)8-1-2-8)17-9-3-4-10-11(5-9)20-7-16-10/h3-8H,1-2H2,(H,17,18,19)
InChIKeyAJSSVZBAWDDCEA-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.47
Rot. Bonds3

About N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine

N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 107800218) has the molecular formula C14H11BrN4S and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID107800218
Molecular FormulaC14H11BrN4S
Molecular Weight347.24 g/mol
Exact Mass345.99
IUPAC NameN-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
SMILESBrc1cc(Nc2ccc3ncsc3c2)nc(C2CC2)n1
InChIInChI=1S/C14H11BrN4S/c15-12-6-13(19-14(18-12)8-1-2-8)17-9-3-4-10-11(5-9)20-7-16-10/h3-8H,1-2H2,(H,17,18,19)
InChIKeyAJSSVZBAWDDCEA-UHFFFAOYSA-N
XLogP4.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
CID 107801962
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid
CID 90134418
2-(1,3-benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107806763
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
CID 107800195

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine (CID 107800218) is N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine is Brc1cc(Nc2ccc3ncsc3c2)nc(C2CC2)n1.
What is the InChIKey of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is AJSSVZBAWDDCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4S/c15-12-6-13(19-14(18-12)8-1-2-8)17-9-3-4-10-11(5-9)20-7-16-10/h3-8H,1-2H2,(H,17,18,19).
What are the key properties of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine?
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 347.24 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107800218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).