[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

C15H26N4S — CID 63916433

IUPAC[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCC(C)CN1CCN(c2nc(C3CC3)c(CN)s2)CC1
InChIInChI=1S/C15H26N4S/c1-11(2)10-18-5-7-19(8-6-18)15-17-14(12-3-4-12)13(9-16)20-15/h11-12H,3-10,16H2,1-2H3
InChIKeyFVXRHWMUYXPGJG-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.26
Rot. Bonds5

About [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 63916433) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID63916433
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCC(C)CN1CCN(c2nc(C3CC3)c(CN)s2)CC1
InChIInChI=1S/C15H26N4S/c1-11(2)10-18-5-7-19(8-6-18)15-17-14(12-3-4-12)13(9-16)20-15/h11-12H,3-10,16H2,1-2H3
InChIKeyFVXRHWMUYXPGJG-UHFFFAOYSA-N
XLogP2.26
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 63916433) is [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is CC(C)CN1CCN(c2nc(C3CC3)c(CN)s2)CC1.
What is the InChIKey of [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is FVXRHWMUYXPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-11(2)10-18-5-7-19(8-6-18)15-17-14(12-3-4-12)13(9-16)20-15/h11-12H,3-10,16H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63916433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).