N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H21ClN2S — CID 114363211

IUPACN-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(-c2ccccc2Cl)sc1CNC1CC1
InChIInChI=1S/C17H21ClN2S/c1-17(2,3)15-14(10-19-11-8-9-11)21-16(20-15)12-6-4-5-7-13(12)18/h4-7,11,19H,8-10H2,1-3H3
InChIKeyBXIVYJLMOJQCFA-UHFFFAOYSA-N
MW320.89 g/mol
LogP5.01
Rot. Bonds4

About N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114363211) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114363211
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(-c2ccccc2Cl)sc1CNC1CC1
InChIInChI=1S/C17H21ClN2S/c1-17(2,3)15-14(10-19-11-8-9-11)21-16(20-15)12-6-4-5-7-13(12)18/h4-7,11,19H,8-10H2,1-3H3
InChIKeyBXIVYJLMOJQCFA-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-tert-butyl-2-(2-chlorophenyl)-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-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438334
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-[[2-(2-chlorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369395
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363130
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103445237
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82436195
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174433
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114363211) is N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)(C)c1nc(-c2ccccc2Cl)sc1CNC1CC1.
What is the InChIKey of N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is BXIVYJLMOJQCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-17(2,3)15-14(10-19-11-8-9-11)21-16(20-15)12-6-4-5-7-13(12)18/h4-7,11,19H,8-10H2,1-3H3.
What are the key properties of N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 320.89 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114363211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).