N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C15H22N2S — CID 2496498

IUPACN-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCCCCc1ccc(NC2=NC(C)(C)CS2)cc1
InChIInChI=1S/C15H22N2S/c1-4-5-6-12-7-9-13(10-8-12)16-14-17-15(2,3)11-18-14/h7-10H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyVYWRXJYTLDYHPW-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.32
Rot. Bonds4

About N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2496498) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2496498
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCCCCc1ccc(NC2=NC(C)(C)CS2)cc1
InChIInChI=1S/C15H22N2S/c1-4-5-6-12-7-9-13(10-8-12)16-14-17-15(2,3)11-18-14/h7-10H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyVYWRXJYTLDYHPW-UHFFFAOYSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
CID 55081235
N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440181
(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345416
N-[2-[4-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)amino]phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 58628055
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 54965185
7-methyl-N-(4-propylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526955
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
CID 134179374
3,5-didecyl-N-(4-decylphenyl)aniline
CID 102438287

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2496498) is N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CCCCc1ccc(NC2=NC(C)(C)CS2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is VYWRXJYTLDYHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-5-6-12-7-9-13(10-8-12)16-14-17-15(2,3)11-18-14/h7-10H,4-6,11H2,1-3H3,(H,16,17).
What are the key properties of N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2496498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).