5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine

C13H14N2S — CID 116811891

IUPAC5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C13H14N2S/c1-14-13-15-8-12(16-13)11-6-4-10(5-7-11)9-2-3-9/h4-9H,2-3H2,1H3,(H,14,15)
InChIKeyKGPUBNKSOUECQJ-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.73
Rot. Bonds3

About 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine

5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 116811891) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID116811891
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C13H14N2S/c1-14-13-15-8-12(16-13)11-6-4-10(5-7-11)9-2-3-9/h4-9H,2-3H2,1H3,(H,14,15)
InChIKeyKGPUBNKSOUECQJ-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine
CID 116811772
N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
N-methyl-5-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116811930
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
5-(3-cyclopropylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812420
1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine
CID 143508746
N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 116811791
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
CID 79980973
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380823

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine (CID 116811891) is 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1ncc(-c2ccc(C3CC3)cc2)s1.
What is the InChIKey of 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is KGPUBNKSOUECQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-14-13-15-8-12(16-13)11-6-4-10(5-7-11)9-2-3-9/h4-9H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116811891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).