(4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H16N4OS2 — CID 47284206

IUPAC(4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C13H16N4OS2/c1-9-7-19-13(15-9)17-5-3-16(4-6-17)12(18)11-10(2)14-8-20-11/h7-8H,3-6H2,1-2H3
InChIKeyHLDLIUKUHHHITB-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.18
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 47284206) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID47284206
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C13H16N4OS2/c1-9-7-19-13(15-9)17-5-3-16(4-6-17)12(18)11-10(2)14-8-20-11/h7-8H,3-6H2,1-2H3
InChIKeyHLDLIUKUHHHITB-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47046086
(4-Methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 47537904
(2,4-Dimethyl-1,3-thiazol-5-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53603078
(4-Methyl-1,3-thiazol-5-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56813011
(4-Methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56818988
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 75388417
N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 8895588
2,4-dimethyl-N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)thiazole-5-carboxamide
CID 76148884
(2-Ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47426923
2-[acetyl(propan-2-yl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 49655898
2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164639669
4-methyl-N-((6-methylpyrazin-2-yl)methyl)-2-(2-oxo-3-(4,4,4-trifluorobutyl)imidazolidin-1-yl)thiazole-5-carboxamide
CID 44193693

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 47284206) is (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1csc(N2CCN(C(=O)c3scnc3C)CC2)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HLDLIUKUHHHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-9-7-19-13(15-9)17-5-3-16(4-6-17)12(18)11-10(2)14-8-20-11/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 47284206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).