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

C14H18N4OS2 — CID 56818946

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCc1csc(N2CCN(C(=O)CCc3nccs3)CC2)n1
InChIInChI=1S/C14H18N4OS2/c1-11-10-21-14(16-11)18-7-5-17(6-8-18)13(19)3-2-12-15-4-9-20-12/h4,9-10H,2-3,5-8H2,1H3
InChIKeyBSTHHSXPTMLWSN-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.19
Rot. Bonds4

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

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 56818946) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID56818946
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCc1csc(N2CCN(C(=O)CCc3nccs3)CC2)n1
InChIInChI=1S/C14H18N4OS2/c1-11-10-21-14(16-11)18-7-5-17(6-8-18)13(19)3-2-12-15-4-9-20-12/h4,9-10H,2-3,5-8H2,1H3
InChIKeyBSTHHSXPTMLWSN-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.19
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-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 56818946) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is Cc1csc(N2CCN(C(=O)CCc3nccs3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is BSTHHSXPTMLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-11-10-21-14(16-11)18-7-5-17(6-8-18)13(19)3-2-12-15-4-9-20-12/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 322.46 g/mol, XLogP of 2.19, 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-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 56818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).