5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole

C14H17NS — CID 90934410

IUPAC5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCCc1sc(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C14H17NS/c1-4-12-13(11-8-6-5-7-9-11)15-14(16-12)10(2)3/h5-10H,4H2,1-3H3
InChIKeyNIVLVGSINLXHRI-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.50
Rot. Bonds3

About 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole

5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole (PubChem CID 90934410) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
PubChem CID90934410
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCCc1sc(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C14H17NS/c1-4-12-13(11-8-6-5-7-9-11)15-14(16-12)10(2)3/h5-10H,4H2,1-3H3
InChIKeyNIVLVGSINLXHRI-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 141180852
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82069461
2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069331
2-(2-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069487
N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786315
2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 116705427
[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
CID 62780155
ethane;5-ethyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 170954196

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole (CID 90934410) is 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole is CCc1sc(C(C)C)nc1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is NIVLVGSINLXHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-4-12-13(11-8-6-5-7-9-11)15-14(16-12)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole?
5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 231.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 90934410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).