2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole

C15H25N3S — CID 157014325

IUPAC2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CN2CCN(C3CC3)CC2C)n1
InChIInChI=1S/C15H25N3S/c1-11(2)14-10-19-15(16-14)9-17-6-7-18(8-12(17)3)13-4-5-13/h10-13H,4-9H2,1-3H3
InChIKeyYVSSVEALVFDOHA-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole

2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 157014325) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
PubChem CID157014325
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CN2CCN(C3CC3)CC2C)n1
InChIInChI=1S/C15H25N3S/c1-11(2)14-10-19-15(16-14)9-17-6-7-18(8-12(17)3)13-4-5-13/h10-13H,4-9H2,1-3H3
InChIKeyYVSSVEALVFDOHA-UHFFFAOYSA-N
XLogP2.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51633658
2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
CID 131909763
4-methyl-2-[(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole
CID 79926773
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
CID 157019220
1-propan-2-yl-3-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
CID 95194130
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 30728417
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 51892492

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole (CID 157014325) is 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CN2CCN(C3CC3)CC2C)n1.
What is the InChIKey of 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is YVSSVEALVFDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-11(2)14-10-19-15(16-14)9-17-6-7-18(8-12(17)3)13-4-5-13/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157014325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).