N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

C16H24N2S2 — CID 82439255

IUPACN-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1sc(-c2cccs2)nc1C(C)(C)C
InChIInChI=1S/C16H24N2S2/c1-11(2)9-17-10-13-14(16(3,4)5)18-15(20-13)12-7-6-8-19-12/h6-8,11,17H,9-10H2,1-5H3
InChIKeyJZKMCFWJBWLAMO-UHFFFAOYSA-N
MW308.52 g/mol
LogP4.91
Rot. Bonds5

About N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82439255) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID82439255
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC NameN-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1sc(-c2cccs2)nc1C(C)(C)C
InChIInChI=1S/C16H24N2S2/c1-11(2)9-17-10-13-14(16(3,4)5)18-15(20-13)12-7-6-8-19-12/h6-8,11,17H,9-10H2,1-5H3
InChIKeyJZKMCFWJBWLAMO-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine 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-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82439257
N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82438190
2-methoxy-N-[(4-propan-2-yl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82435064
N-[[2-(5-bromothiophen-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362567
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362311
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 82439255) is N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1sc(-c2cccs2)nc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is JZKMCFWJBWLAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-11(2)9-17-10-13-14(16(3,4)5)18-15(20-13)12-7-6-8-19-12/h6-8,11,17H,9-10H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 308.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82439255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).