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

C16H27N5OS — CID 120983008

IUPAC3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCc1nc(CN2CCN(CCC(=O)N3CCNCC3)CC2)cs1
InChIInChI=1S/C16H27N5OS/c1-14-18-15(13-23-14)12-20-10-8-19(9-11-20)5-2-16(22)21-6-3-17-4-7-21/h13,17H,2-12H2,1H3
InChIKeyNMNPRPUHCJYTEJ-UHFFFAOYSA-N
MW337.49 g/mol
LogP0.39
Rot. Bonds5

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

3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120983008) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120983008
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCc1nc(CN2CCN(CCC(=O)N3CCNCC3)CC2)cs1
InChIInChI=1S/C16H27N5OS/c1-14-18-15(13-23-14)12-20-10-8-19(9-11-20)5-2-16(22)21-6-3-17-4-7-21/h13,17H,2-12H2,1H3
InChIKeyNMNPRPUHCJYTEJ-UHFFFAOYSA-N
XLogP0.39
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982492
3-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54875385
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
5-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 60948305
4-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 79205083
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119399484
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 111331762

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120983008) is 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is Cc1nc(CN2CCN(CCC(=O)N3CCNCC3)CC2)cs1.
What is the InChIKey of 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is NMNPRPUHCJYTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-14-18-15(13-23-14)12-20-10-8-19(9-11-20)5-2-16(22)21-6-3-17-4-7-21/h13,17H,2-12H2,1H3.
What are the key properties of 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 337.49 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120983008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).