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

C16H20N2S — CID 81174281

IUPACN-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(-c2ccccc2)c(CNC2CC2)s1
InChIInChI=1S/C16H20N2S/c1-11(2)16-18-15(12-6-4-3-5-7-12)14(19-16)10-17-13-8-9-13/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyXZLANCUPERWBLH-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.19
Rot. Bonds5

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

N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 81174281) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID81174281
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(-c2ccccc2)c(CNC2CC2)s1
InChIInChI=1S/C16H20N2S/c1-11(2)16-18-15(12-6-4-3-5-7-12)14(19-16)10-17-13-8-9-13/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyXZLANCUPERWBLH-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-phenyl-2-propan-2-yl-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-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174433
5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 90934410
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 62764504
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174282
5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 141180852
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678
2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116730659
N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114994384
N-[[2-(3-ethyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365516
N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
CID 115976693

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 81174281) is N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is CC(C)c1nc(-c2ccccc2)c(CNC2CC2)s1.
What is the InChIKey of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is XZLANCUPERWBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11(2)16-18-15(12-6-4-3-5-7-12)14(19-16)10-17-13-8-9-13/h3-7,11,13,17H,8-10H2,1-2H3.
What are the key properties of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 272.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81174281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).