5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

C16H22N2S — CID 39373637

IUPAC5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1sc(NC(C)C)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-10(2)13-6-8-14(9-7-13)15-12(5)19-16(18-15)17-11(3)4/h6-11H,1-5H3,(H,17,18)
InChIKeyCSQNJVDHGDHXDC-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.06
Rot. Bonds4

About 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 39373637) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
PubChem CID39373637
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1sc(NC(C)C)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-10(2)13-6-8-14(9-7-13)15-12(5)19-16(18-15)17-11(3)4/h6-11H,1-5H3,(H,17,18)
InChIKeyCSQNJVDHGDHXDC-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82102760
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea
CID 17217985
4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 112677103
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 17426428
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (CID 39373637) is 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is Cc1sc(NC(C)C)nc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is CSQNJVDHGDHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10(2)13-6-8-14(9-7-13)15-12(5)19-16(18-15)17-11(3)4/h6-11H,1-5H3,(H,17,18).
What are the key properties of 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 39373637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).