5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C14H18N2S — CID 62065378

IUPAC5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-9(2)13-12(17-14(15)16-13)8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyXKEBGWQMGIBGHD-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.75
Rot. Bonds3

About 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62065378) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62065378
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-9(2)13-12(17-14(15)16-13)8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyXKEBGWQMGIBGHD-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 62065378) is 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is Cc1ccc(Cc2sc(N)nc2C(C)C)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is XKEBGWQMGIBGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9(2)13-12(17-14(15)16-13)8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16).
What are the key properties of 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).