N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine

C14H17ClN2S — CID 46226103

IUPACN-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine
SMILESCC(C)[C@H](CNc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2S/c1-10(2)13(9-17-14-16-7-8-18-14)11-3-5-12(15)6-4-11/h3-8,10,13H,9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyVTCLDCWNWKUZIN-ZDUSSCGKSA-N
MW280.82 g/mol
LogP4.65
Rot. Bonds5

About N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine

N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine (PubChem CID 46226103) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine
PubChem CID46226103
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine
SMILESCC(C)[C@H](CNc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2S/c1-10(2)13(9-17-14-16-7-8-18-14)11-3-5-12(15)6-4-11/h3-8,10,13H,9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyVTCLDCWNWKUZIN-ZDUSSCGKSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine (CID 46226103) is N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine is CC(C)[C@H](CNc1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine?
The InChIKey is VTCLDCWNWKUZIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-10(2)13(9-17-14-16-7-8-18-14)11-3-5-12(15)6-4-11/h3-8,10,13H,9H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine?
N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine has a molecular weight of 280.82 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-3-methylbutyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46226103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).