2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

C16H20N4S — CID 120910295

IUPAC2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1cc(C2CNCCN2Cc2csc(C3CC3)n2)ccn1
InChIInChI=1S/C16H20N4S/c1-2-13(1)16-19-14(11-21-16)10-20-8-7-18-9-15(20)12-3-5-17-6-4-12/h3-6,11,13,15,18H,1-2,7-10H2
InChIKeyVLITXVQWGAKFLB-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.56
Rot. Bonds4

About 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120910295) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120910295
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1cc(C2CNCCN2Cc2csc(C3CC3)n2)ccn1
InChIInChI=1S/C16H20N4S/c1-2-13(1)16-19-14(11-21-16)10-20-8-7-18-9-15(20)12-3-5-17-6-4-12/h3-6,11,13,15,18H,1-2,7-10H2
InChIKeyVLITXVQWGAKFLB-UHFFFAOYSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120754217
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 125002367
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120909954
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120910295) is 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is c1cc(C2CNCCN2Cc2csc(C3CC3)n2)ccn1.
What is the InChIKey of 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is VLITXVQWGAKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-13(1)16-19-14(11-21-16)10-20-8-7-18-9-15(20)12-3-5-17-6-4-12/h3-6,11,13,15,18H,1-2,7-10H2.
What are the key properties of 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 300.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120910295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).