N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C14H20N2S — CID 43440181

IUPACN-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCc1ccc(NC2=NC(C)CS2)cc1
InChIInChI=1S/C14H20N2S/c1-3-4-5-12-6-8-13(9-7-12)16-14-15-11(2)10-17-14/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyLXJPMFVXMJRRID-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.93
Rot. Bonds4

About N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440181) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440181
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCc1ccc(NC2=NC(C)CS2)cc1
InChIInChI=1S/C14H20N2S/c1-3-4-5-12-6-8-13(9-7-12)16-14-15-11(2)10-17-14/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyLXJPMFVXMJRRID-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-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

Related Compounds

(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345416
4-methyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188198
N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2496498
6-fluoro-N-[2-[4-[[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 58627972
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351378
N-(4-butylphenyl)-5-methylthiolan-3-amine
CID 79942068
N-(4-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363205
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-methyl-N-(2-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439547
4-(4-butylphenyl)-N-phenylaniline
CID 141426915

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440181) is N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCc1ccc(NC2=NC(C)CS2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LXJPMFVXMJRRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-4-5-12-6-8-13(9-7-12)16-14-15-11(2)10-17-14/h6-9,11H,3-5,10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).