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

C13H16ClN5S — CID 58075121

IUPAC2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole
SMILESCc1sc(Cl)nc1-c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H16ClN5S/c1-9-11(17-13(14)20-9)12-15-4-3-10(16-12)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3
InChIKeyJVUXJXKCJKFEGM-UHFFFAOYSA-N
MW309.83 g/mol
LogP2.31
Rot. Bonds2

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

2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole (PubChem CID 58075121) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole
PubChem CID58075121
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole
SMILESCc1sc(Cl)nc1-c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H16ClN5S/c1-9-11(17-13(14)20-9)12-15-4-3-10(16-12)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3
InChIKeyJVUXJXKCJKFEGM-UHFFFAOYSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole (CID 58075121) is 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole is Cc1sc(Cl)nc1-c1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is JVUXJXKCJKFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-9-11(17-13(14)20-9)12-15-4-3-10(16-12)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 309.83 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 58075121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).