N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H26N4S — CID 79396238

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)c1nc(N2CCN(C)CC2)sc1CNC1CC1
InChIInChI=1S/C15H26N4S/c1-11(2)14-13(10-16-12-4-5-12)20-15(17-14)19-8-6-18(3)7-9-19/h11-12,16H,4-10H2,1-3H3
InChIKeyJDHYSZAIXYDCSD-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.27
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 79396238) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID79396238
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)c1nc(N2CCN(C)CC2)sc1CNC1CC1
InChIInChI=1S/C15H26N4S/c1-11(2)14-13(10-16-12-4-5-12)20-15(17-14)19-8-6-18(3)7-9-19/h11-12,16H,4-10H2,1-3H3
InChIKeyJDHYSZAIXYDCSD-UHFFFAOYSA-N
XLogP2.27
TPSA31.40 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 79396238) is N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)c1nc(N2CCN(C)CC2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is JDHYSZAIXYDCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-11(2)14-13(10-16-12-4-5-12)20-15(17-14)19-8-6-18(3)7-9-19/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 294.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79396238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).