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

C18H22N2S — CID 114367802

IUPACN-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cc2nc(C3CC3)c(CNC3CC3)s2)cc1
InChIInChI=1S/C18H22N2S/c1-12-2-4-13(5-3-12)10-17-20-18(14-6-7-14)16(21-17)11-19-15-8-9-15/h2-5,14-15,19H,6-11H2,1H3
InChIKeyJRWMDZJITMODDC-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.17
Rot. Bonds6

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

N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114367802) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114367802
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cc2nc(C3CC3)c(CNC3CC3)s2)cc1
InChIInChI=1S/C18H22N2S/c1-12-2-4-13(5-3-12)10-17-20-18(14-6-7-14)16(21-17)11-19-15-8-9-15/h2-5,14-15,19H,6-11H2,1H3
InChIKeyJRWMDZJITMODDC-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367481
N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367731
N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82431466
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
CID 82436090

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114367802) is N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1ccc(Cc2nc(C3CC3)c(CNC3CC3)s2)cc1.
What is the InChIKey of N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is JRWMDZJITMODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-12-2-4-13(5-3-12)10-17-20-18(14-6-7-14)16(21-17)11-19-15-8-9-15/h2-5,14-15,19H,6-11H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 298.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114367802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).