4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine

C17H18N2S — CID 167489817

IUPAC4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1nc(N)sc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2S/c1-11(2)9-15-16(20-17(18)19-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11H,9H2,1-2H3,(H2,18,19)
InChIKeyDIFDIBFRCVUOKA-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.74
Rot. Bonds3

About 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine

4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 167489817) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID167489817
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1nc(N)sc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2S/c1-11(2)9-15-16(20-17(18)19-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11H,9H2,1-2H3,(H2,18,19)
InChIKeyDIFDIBFRCVUOKA-UHFFFAOYSA-N
XLogP4.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
CID 156849333
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]-5-(3-fluoroisoquinolin-6-yl)-1,3-thiazol-2-amine
CID 140570159
1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
CID 116888207
3-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]aniline
CID 114868305
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanamine
CID 54846604
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
5-naphthalen-2-ylthiophen-2-amine
CID 67962708

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine (CID 167489817) is 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine is CC(C)Cc1nc(N)sc1-c1ccc2ccccc2c1.
What is the InChIKey of 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is DIFDIBFRCVUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11(2)9-15-16(20-17(18)19-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11H,9H2,1-2H3,(H2,18,19).
What are the key properties of 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine?
4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 167489817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).