N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine

C16H15ClN4S — CID 133431855

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESClc1cc(NCCc2nc3ccccc3s2)nc(C2CC2)n1
InChIInChI=1S/C16H15ClN4S/c17-13-9-14(21-16(20-13)10-5-6-10)18-8-7-15-19-11-3-1-2-4-12(11)22-15/h1-4,9-10H,5-8H2,(H,18,20,21)
InChIKeyWFZKKPPSUQTGGB-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.27
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine (PubChem CID 133431855) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
PubChem CID133431855
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESClc1cc(NCCc2nc3ccccc3s2)nc(C2CC2)n1
InChIInChI=1S/C16H15ClN4S/c17-13-9-14(21-16(20-13)10-5-6-10)18-8-7-15-19-11-3-1-2-4-12(11)22-15/h1-4,9-10H,5-8H2,(H,18,20,21)
InChIKeyWFZKKPPSUQTGGB-UHFFFAOYSA-N
XLogP4.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole
CID 133421968
1-(1-benzothiophen-2-yl)-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]ethanol
CID 133419861
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432124
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 43512900
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
CID 83961945
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine (CID 133431855) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine is Clc1cc(NCCc2nc3ccccc3s2)nc(C2CC2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
The InChIKey is WFZKKPPSUQTGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c17-13-9-14(21-16(20-13)10-5-6-10)18-8-7-15-19-11-3-1-2-4-12(11)22-15/h1-4,9-10H,5-8H2,(H,18,20,21).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine has a molecular weight of 330.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 133431855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).