N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine

C15H20N2S — CID 60642064

IUPACN-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C15H20N2S/c1-5-11-6-8-12(9-7-11)13-10-18-14(16-13)17-15(2,3)4/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyKDJZXHJNWHMQBJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.58
Rot. Bonds3

About N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine

N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 60642064) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID60642064
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C15H20N2S/c1-5-11-6-8-12(9-7-11)13-10-18-14(16-13)17-15(2,3)4/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyKDJZXHJNWHMQBJ-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 8963286
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 82316835
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine (CID 60642064) is N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine is CCc1ccc(-c2csc(NC(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KDJZXHJNWHMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-5-11-6-8-12(9-7-11)13-10-18-14(16-13)17-15(2,3)4/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 60642064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).