4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine

C13H17ClN6S — CID 133476730

IUPAC4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCC(c1nccs1)N1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C13H17ClN6S/c1-9(12-16-2-7-21-12)19-3-5-20(6-4-19)11-8-10(14)17-13(15)18-11/h2,7-9H,3-6H2,1H3,(H2,15,17,18)
InChIKeyKFSQFIOQJWEQNA-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.05
Rot. Bonds3

About 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 133476730) has the molecular formula C13H17ClN6S and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID133476730
Molecular FormulaC13H17ClN6S
Molecular Weight324.84 g/mol
Exact Mass324.09
IUPAC Name4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCC(c1nccs1)N1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C13H17ClN6S/c1-9(12-16-2-7-21-12)19-3-5-20(6-4-19)11-8-10(14)17-13(15)18-11/h2,7-9H,3-6H2,1H3,(H2,15,17,18)
InChIKeyKFSQFIOQJWEQNA-UHFFFAOYSA-N
XLogP2.05
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476366
4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzonitrile
CID 133476408
6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78946443
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
2-[1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476450
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
methyl 4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 133476650
5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133476421

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine (CID 133476730) is 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine is CC(c1nccs1)N1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is KFSQFIOQJWEQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6S/c1-9(12-16-2-7-21-12)19-3-5-20(6-4-19)11-8-10(14)17-13(15)18-11/h2,7-9H,3-6H2,1H3,(H2,15,17,18).
What are the key properties of 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 324.84 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133476730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).