1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one

C14H19N5OS — CID 56817801

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCc1csc(N2CCN(C(=O)CCn3cccn3)CC2)n1
InChIInChI=1S/C14H19N5OS/c1-12-11-21-14(16-12)18-9-7-17(8-10-18)13(20)3-6-19-5-2-4-15-19/h2,4-5,11H,3,6-10H2,1H3
InChIKeyHKDKVRMWOBFPBY-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.39
Rot. Bonds4

About 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 56817801) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID56817801
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCc1csc(N2CCN(C(=O)CCn3cccn3)CC2)n1
InChIInChI=1S/C14H19N5OS/c1-12-11-21-14(16-12)18-9-7-17(8-10-18)13(20)3-6-19-5-2-4-15-19/h2,4-5,11H,3,6-10H2,1H3
InChIKeyHKDKVRMWOBFPBY-UHFFFAOYSA-N
XLogP1.39
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 56817801) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one is Cc1csc(N2CCN(C(=O)CCn3cccn3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is HKDKVRMWOBFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-12-11-21-14(16-12)18-9-7-17(8-10-18)13(20)3-6-19-5-2-4-15-19/h2,4-5,11H,3,6-10H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 305.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 56817801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).