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

C15H20N6OS — CID 56815621

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESCc1csc(N2CCN(C(=O)CCNc3ncccn3)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-12-11-23-15(19-12)21-9-7-20(8-10-21)13(22)3-6-18-14-16-4-2-5-17-14/h2,4-5,11H,3,6-10H2,1H3,(H,16,17,18)
InChIKeyLGPPRHMYDRTTDV-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.39
Rot. Bonds5

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

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 56815621) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
PubChem CID56815621
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESCc1csc(N2CCN(C(=O)CCNc3ncccn3)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-12-11-23-15(19-12)21-9-7-20(8-10-21)13(22)3-6-18-14-16-4-2-5-17-14/h2,4-5,11H,3,6-10H2,1H3,(H,16,17,18)
InChIKeyLGPPRHMYDRTTDV-UHFFFAOYSA-N
XLogP1.39
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (CID 56815621) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is Cc1csc(N2CCN(C(=O)CCNc3ncccn3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is LGPPRHMYDRTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-12-11-23-15(19-12)21-9-7-20(8-10-21)13(22)3-6-18-14-16-4-2-5-17-14/h2,4-5,11H,3,6-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one has a molecular weight of 332.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 56815621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).