4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole

C21H18N2O2S — CID 142664701

IUPAC4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
SMILESCOc1cc(-c2csc(-n3cccc3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H18N2O2S/c1-24-20-13-17(18-15-26-21(22-18)23-11-5-6-12-23)9-10-19(20)25-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
InChIKeySSLNFZQNKKMTTL-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.19
Rot. Bonds6

About 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole

4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole (PubChem CID 142664701) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
PubChem CID142664701
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
SMILESCOc1cc(-c2csc(-n3cccc3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H18N2O2S/c1-24-20-13-17(18-15-26-21(22-18)23-11-5-6-12-23)9-10-19(20)25-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
InChIKeySSLNFZQNKKMTTL-UHFFFAOYSA-N
XLogP5.19
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6172603
4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
CID 3588152
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
CID 4053706
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126618872
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565
4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3425787

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
The IUPAC name of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole (CID 142664701) is 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
The canonical SMILES for 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole is COc1cc(-c2csc(-n3cccc3)n2)ccc1OCc1ccccc1.
What is the InChIKey of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
The InChIKey is SSLNFZQNKKMTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-24-20-13-17(18-15-26-21(22-18)23-11-5-6-12-23)9-10-19(20)25-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3.
What are the key properties of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole has a molecular weight of 362.45 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole is sourced from PubChem (CID 142664701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).