1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea

C17H15N3O2S — CID 930415

IUPAC1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESCOc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-9-7-12(8-10-14)15-11-23-17(19-15)20-16(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyIGGKWFIPADVNEA-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.46
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 930415) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID930415
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESCOc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-9-7-12(8-10-14)15-11-23-17(19-15)20-16(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyIGGKWFIPADVNEA-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
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T16AInh-A01
CID 135460621
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
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Tioxamast
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4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
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4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
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4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea (CID 930415) is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea is COc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is IGGKWFIPADVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-9-7-12(8-10-14)15-11-23-17(19-15)20-16(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 325.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 930415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).