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

C15H20N2S — CID 82069461

IUPAC2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C(C)C)sc2CCN)cc1
InChIInChI=1S/C15H20N2S/c1-10(2)15-17-14(13(18-15)8-9-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9,16H2,1-3H3
InChIKeySXXHCLYTKXGPIO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.74
Rot. Bonds4

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

2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82069461) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID82069461
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C(C)C)sc2CCN)cc1
InChIInChI=1S/C15H20N2S/c1-10(2)15-17-14(13(18-15)8-9-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9,16H2,1-3H3
InChIKeySXXHCLYTKXGPIO-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069487
2-[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 82069465
5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 90934410
2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine
CID 96608949
2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069481
2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82069519
5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 141180852
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
CID 115525260
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine (CID 82069461) is 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine is Cc1ccc(-c2nc(C(C)C)sc2CCN)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SXXHCLYTKXGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)15-17-14(13(18-15)8-9-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82069461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).