2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole

C14H18ClN5S — CID 58074994

IUPAC2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole
SMILESCCN1CCN(c2ccnc(-c3nc(Cl)sc3C)n2)CC1
InChIInChI=1S/C14H18ClN5S/c1-3-19-6-8-20(9-7-19)11-4-5-16-13(17-11)12-10(2)21-14(15)18-12/h4-5H,3,6-9H2,1-2H3
InChIKeyFVZZCGXXHVISQK-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole

2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole (PubChem CID 58074994) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole
PubChem CID58074994
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole
SMILESCCN1CCN(c2ccnc(-c3nc(Cl)sc3C)n2)CC1
InChIInChI=1S/C14H18ClN5S/c1-3-19-6-8-20(9-7-19)11-4-5-16-13(17-11)12-10(2)21-14(15)18-12/h4-5H,3,6-9H2,1-2H3
InChIKeyFVZZCGXXHVISQK-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole (CID 58074994) is 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole is CCN1CCN(c2ccnc(-c3nc(Cl)sc3C)n2)CC1.
What is the InChIKey of 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole?
The InChIKey is FVZZCGXXHVISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-3-19-6-8-20(9-7-19)11-4-5-16-13(17-11)12-10(2)21-14(15)18-12/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole?
2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole has a molecular weight of 323.85 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 58074994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).