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

C13H16N2S — CID 89458948

IUPACN-(4-tert-butylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-13(2,3)10-4-6-11(7-5-10)15-12-14-8-9-16-12/h4-9H,1-3H3,(H,14,15)
InChIKeyXWZOOUGRLWCAKJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.18
Rot. Bonds2

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

N-(4-tert-butylphenyl)-1,3-thiazol-2-amine (PubChem CID 89458948) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1,3-thiazol-2-amine
PubChem CID89458948
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(4-tert-butylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-13(2,3)10-4-6-11(7-5-10)15-12-14-8-9-16-12/h4-9H,1-3H3,(H,14,15)
InChIKeyXWZOOUGRLWCAKJ-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
4-[[4-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145961
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
CID 63759016
N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
CID 87964045
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
2-methyl-5-(1,3-thiazol-2-ylamino)phenol
CID 86645029
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
CID 63654743
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-1,3-thiazol-2-amine (CID 89458948) is N-(4-tert-butylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-1,3-thiazol-2-amine is CC(C)(C)c1ccc(Nc2nccs2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
The InChIKey is XWZOOUGRLWCAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)10-4-6-11(7-5-10)15-12-14-8-9-16-12/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89458948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).