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

C14H20ClN5S — CID 75369886

IUPAC2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESCc1nn(C)c(Cl)c1CN1CCN(c2nccs2)C(C)C1
InChIInChI=1S/C14H20ClN5S/c1-10-8-19(5-6-20(10)14-16-4-7-21-14)9-12-11(2)17-18(3)13(12)15/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyCASLRFTYIXAPBN-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.55
Rot. Bonds3

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

2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (PubChem CID 75369886) has the molecular formula C14H20ClN5S and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
PubChem CID75369886
Molecular FormulaC14H20ClN5S
Molecular Weight325.87 g/mol
Exact Mass325.11
IUPAC Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESCc1nn(C)c(Cl)c1CN1CCN(c2nccs2)C(C)C1
InChIInChI=1S/C14H20ClN5S/c1-10-8-19(5-6-20(10)14-16-4-7-21-14)9-12-11(2)17-18(3)13(12)15/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyCASLRFTYIXAPBN-UHFFFAOYSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (CID 75369886) is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is Cc1nn(C)c(Cl)c1CN1CCN(c2nccs2)C(C)C1.
What is the InChIKey of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is CASLRFTYIXAPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5S/c1-10-8-19(5-6-20(10)14-16-4-7-21-14)9-12-11(2)17-18(3)13(12)15/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 325.87 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 75369886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).