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

C13H16N2S — CID 61336472

IUPAC2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1ccc(-c2csc(C(C)(C)N)n2)cc1
InChIInChI=1S/C13H16N2S/c1-9-4-6-10(7-5-9)11-8-16-12(15-11)13(2,3)14/h4-8H,14H2,1-3H3
InChIKeyQPSKPKFCRBBLEU-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.31
Rot. Bonds2

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

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 61336472) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID61336472
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1ccc(-c2csc(C(C)(C)N)n2)cc1
InChIInChI=1S/C13H16N2S/c1-9-4-6-10(7-5-9)11-8-16-12(15-11)13(2,3)14/h4-8H,14H2,1-3H3
InChIKeyQPSKPKFCRBBLEU-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 63342649
2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
CID 52988778
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966681
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
CID 16653105
4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
CID 116773982
2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338995
ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole
CID 145078481
3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61336288
4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
CID 61336305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine (CID 61336472) is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine is Cc1ccc(-c2csc(C(C)(C)N)n2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is QPSKPKFCRBBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-6-10(7-5-9)11-8-16-12(15-11)13(2,3)14/h4-8H,14H2,1-3H3.
What are the key properties of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 61336472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).