2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole

C14H17NOS — CID 146521628

IUPAC2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(CC(C)C)cs2)c1
InChIInChI=1S/C14H17NOS/c1-10(2)7-12-9-17-14(15-12)11-5-4-6-13(8-11)16-3/h4-6,8-10H,7H2,1-3H3
InChIKeyIUYUPGCLTUPSMM-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole

2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole (PubChem CID 146521628) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
PubChem CID146521628
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(CC(C)C)cs2)c1
InChIInChI=1S/C14H17NOS/c1-10(2)7-12-9-17-14(15-12)11-5-4-6-13(8-11)16-3/h4-6,8-10H,7H2,1-3H3
InChIKeyIUYUPGCLTUPSMM-UHFFFAOYSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218
(2S,3R)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29131151
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
CID 71904980
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole (CID 146521628) is 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole is COc1cccc(-c2nc(CC(C)C)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole?
The InChIKey is IUYUPGCLTUPSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(2)7-12-9-17-14(15-12)11-5-4-6-13(8-11)16-3/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole?
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole has a molecular weight of 247.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 146521628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).