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

C15H22N2S — CID 2345416

IUPAC(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCc1ccc(NC2=N[C@H](CC)CS2)cc1
InChIInChI=1S/C15H22N2S/c1-3-5-6-12-7-9-14(10-8-12)17-15-16-13(4-2)11-18-15/h7-10,13H,3-6,11H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyJIDQKIIMNKDRLU-CYBMUJFWSA-N
MW262.42 g/mol
LogP4.32
Rot. Bonds5

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

(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2345416) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2345416
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCc1ccc(NC2=N[C@H](CC)CS2)cc1
InChIInChI=1S/C15H22N2S/c1-3-5-6-12-7-9-14(10-8-12)17-15-16-13(4-2)11-18-15/h7-10,13H,3-6,11H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyJIDQKIIMNKDRLU-CYBMUJFWSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440181
N-[2-[4-[[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879650
N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2496498
5,6-dichloro-N-[2-[4-[[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 58627769
N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107614106
4-methyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188198
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351378
4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43382066
4-methoxy-N-[2-[4-[(4-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 58627873
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2345416) is (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCc1ccc(NC2=N[C@H](CC)CS2)cc1.
What is the InChIKey of (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JIDQKIIMNKDRLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-5-6-12-7-9-14(10-8-12)17-15-16-13(4-2)11-18-15/h7-10,13H,3-6,11H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2345416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).