5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

C14H18N2S — CID 116812351

IUPAC5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(NCC(C)C)s2)cc1
InChIInChI=1S/C14H18N2S/c1-10(2)8-15-14-16-9-13(17-14)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyQAJUKFYYBCJKHB-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.19
Rot. Bonds4

About 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 116812351) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID116812351
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(NCC(C)C)s2)cc1
InChIInChI=1S/C14H18N2S/c1-10(2)8-15-14-16-9-13(17-14)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyQAJUKFYYBCJKHB-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 116812351) is 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is Cc1ccc(-c2cnc(NCC(C)C)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is QAJUKFYYBCJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(2)8-15-14-16-9-13(17-14)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).