[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C15H19ClN2S — CID 114362062

IUPAC[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(Cc2ccc(Cl)cc2)sc1CN
InChIInChI=1S/C15H19ClN2S/c1-10(2)7-13-14(9-17)19-15(18-13)8-11-3-5-12(16)6-4-11/h3-6,10H,7-9,17H2,1-2H3
InChIKeyJPCNFDJUFAFGBW-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.04
Rot. Bonds5

About [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362062) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362062
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(Cc2ccc(Cl)cc2)sc1CN
InChIInChI=1S/C15H19ClN2S/c1-10(2)7-13-14(9-17)19-15(18-13)8-11-3-5-12(16)6-4-11/h3-6,10H,7-9,17H2,1-2H3
InChIKeyJPCNFDJUFAFGBW-UHFFFAOYSA-N
XLogP4.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362062) is [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(Cc2ccc(Cl)cc2)sc1CN.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JPCNFDJUFAFGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-10(2)7-13-14(9-17)19-15(18-13)8-11-3-5-12(16)6-4-11/h3-6,10H,7-9,17H2,1-2H3.
What are the key properties of [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.85 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).