2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole

C11H19N3S — CID 116891623

IUPAC2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
SMILESCc1nc(C(C)(C)N2CCNCC2)cs1
InChIInChI=1S/C11H19N3S/c1-9-13-10(8-15-9)11(2,3)14-6-4-12-5-7-14/h8,12H,4-7H2,1-3H3
InChIKeyMKHDYFJFSSNLSC-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.59
Rot. Bonds2

About 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole

2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole (PubChem CID 116891623) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
PubChem CID116891623
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
SMILESCc1nc(C(C)(C)N2CCNCC2)cs1
InChIInChI=1S/C11H19N3S/c1-9-13-10(8-15-9)11(2,3)14-6-4-12-5-7-14/h8,12H,4-7H2,1-3H3
InChIKeyMKHDYFJFSSNLSC-UHFFFAOYSA-N
XLogP1.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 63342649
2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 64988735
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 103813479
1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
CID 112709168
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82598274
2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 130586456
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065869
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
CID 174680413
4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole
CID 116969824

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole (CID 116891623) is 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole is Cc1nc(C(C)(C)N2CCNCC2)cs1.
What is the InChIKey of 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
The InChIKey is MKHDYFJFSSNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-13-10(8-15-9)11(2,3)14-6-4-12-5-7-14/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 116891623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).