2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole

C12H19N3S — CID 96900907

IUPAC2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESc1sc(C2CC2)nc1CCN1CCNCC1
InChIInChI=1S/C12H19N3S/c1-2-10(1)12-14-11(9-16-12)3-6-15-7-4-13-5-8-15/h9-10,13H,1-8H2
InChIKeyGPAVNZDNSQHZMC-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.47
Rot. Bonds4

About 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole

2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 96900907) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID96900907
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESc1sc(C2CC2)nc1CCN1CCNCC1
InChIInChI=1S/C12H19N3S/c1-2-10(1)12-14-11(9-16-12)3-6-15-7-4-13-5-8-15/h9-10,13H,1-8H2
InChIKeyGPAVNZDNSQHZMC-UHFFFAOYSA-N
XLogP1.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.47
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-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 82508561
2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 93213722
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065442
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 117464136
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
CID 105479874

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole (CID 96900907) is 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole is c1sc(C2CC2)nc1CCN1CCNCC1.
What is the InChIKey of 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is GPAVNZDNSQHZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-10(1)12-14-11(9-16-12)3-6-15-7-4-13-5-8-15/h9-10,13H,1-8H2.
What are the key properties of 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 96900907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).