1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one

C14H17N5OS — CID 71684310

IUPAC1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5OS/c20-13(3-2-12-15-6-11-21-12)18-7-9-19(10-8-18)14-16-4-1-5-17-14/h1,4-6,11H,2-3,7-10H2
InChIKeyBOZXNNLPOKQXRV-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.21
Rot. Bonds4

About 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one

1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 71684310) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID71684310
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5OS/c20-13(3-2-12-15-6-11-21-12)18-7-9-19(10-8-18)14-16-4-1-5-17-14/h1,4-6,11H,2-3,7-10H2
InChIKeyBOZXNNLPOKQXRV-UHFFFAOYSA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 56814818
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 45832120
1-[4-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45833522
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084882
N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 51123230
1-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 53507774
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53511858
1-[4-(Dimethylamino)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 53545528
3-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 56796745

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (CID 71684310) is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is BOZXNNLPOKQXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-13(3-2-12-15-6-11-21-12)18-7-9-19(10-8-18)14-16-4-1-5-17-14/h1,4-6,11H,2-3,7-10H2.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 303.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 71684310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).