N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine

C17H24N2S — CID 61334246

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
SMILESCC(C)NC(c1ccccc1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-12(2)18-15(13-9-7-6-8-10-13)16-19-14(11-20-16)17(3,4)5/h6-12,15,18H,1-5H3
InChIKeyCKCSPJUPOLVNJW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.53
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine (PubChem CID 61334246) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
PubChem CID61334246
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
SMILESCC(C)NC(c1ccccc1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-12(2)18-15(13-9-7-6-8-10-13)16-19-14(11-20-16)17(3,4)5/h6-12,15,18H,1-5H3
InChIKeyCKCSPJUPOLVNJW-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine (CID 61334246) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine is CC(C)NC(c1ccccc1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine?
The InChIKey is CKCSPJUPOLVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)18-15(13-9-7-6-8-10-13)16-19-14(11-20-16)17(3,4)5/h6-12,15,18H,1-5H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.53, 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-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine is sourced from PubChem (CID 61334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).