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

C17H21FN2S — CID 114365703

IUPACN-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(F)cc(-c2nc(C(C)C)c(CNC3CC3)s2)c1
InChIInChI=1S/C17H21FN2S/c1-10(2)16-15(9-19-14-4-5-14)21-17(20-16)12-6-11(3)7-13(18)8-12/h6-8,10,14,19H,4-5,9H2,1-3H3
InChIKeyWDWXAVRTJSSDBK-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.63
Rot. Bonds5

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

N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114365703) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114365703
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC NameN-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(F)cc(-c2nc(C(C)C)c(CNC3CC3)s2)c1
InChIInChI=1S/C17H21FN2S/c1-10(2)16-15(9-19-14-4-5-14)21-17(20-16)12-6-11(3)7-13(18)8-12/h6-8,10,14,19H,4-5,9H2,1-3H3
InChIKeyWDWXAVRTJSSDBK-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3-fluoro-5-methylphenyl)-4-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

1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
N-[[2-(3-bromo-4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915459
N-[[2-(2-bromo-6-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114887802
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
N-[[2-[(3-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365521
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82433538
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 114361984
5-[(cyclopropylamino)methyl]-N-methyl-4-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79383339
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-[[2-(3-ethyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365516

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114365703) is N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1cc(F)cc(-c2nc(C(C)C)c(CNC3CC3)s2)c1.
What is the InChIKey of N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is WDWXAVRTJSSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-10(2)16-15(9-19-14-4-5-14)21-17(20-16)12-6-11(3)7-13(18)8-12/h6-8,10,14,19H,4-5,9H2,1-3H3.
What are the key properties of N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 304.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114365703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).