2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole

C14H25N3S — CID 106043488

IUPAC2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc(CCN2CCNC(CC(C)C)C2)cs1
InChIInChI=1S/C14H25N3S/c1-11(2)8-14-9-17(7-5-15-14)6-4-13-10-18-12(3)16-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyWUSDLGTUMLWHCB-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole

2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 106043488) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID106043488
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc(CCN2CCNC(CC(C)C)C2)cs1
InChIInChI=1S/C14H25N3S/c1-11(2)8-14-9-17(7-5-15-14)6-4-13-10-18-12(3)16-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyWUSDLGTUMLWHCB-UHFFFAOYSA-N
XLogP2.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 103016164
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 64951847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 106043488) is 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole is Cc1nc(CCN2CCNC(CC(C)C)C2)cs1.
What is the InChIKey of 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is WUSDLGTUMLWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)8-14-9-17(7-5-15-14)6-4-13-10-18-12(3)16-13/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 106043488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).