1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea

C17H17N3OS2 — CID 71795363

IUPAC1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccs1
InChIInChI=1S/C17H17N3OS2/c1-12-15(23-16(20-12)13-6-3-2-4-7-13)11-19-17(21)18-10-14-8-5-9-22-14/h2-9H,10-11H2,1H3,(H2,18,19,21)
InChIKeyWFFPJXYPDPKJJV-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.18
Rot. Bonds5

About 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71795363) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71795363
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccs1
InChIInChI=1S/C17H17N3OS2/c1-12-15(23-16(20-12)13-6-3-2-4-7-13)11-19-17(21)18-10-14-8-5-9-22-14/h2-9H,10-11H2,1H3,(H2,18,19,21)
InChIKeyWFFPJXYPDPKJJV-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 71795514
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546957
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110395377

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 71795363) is 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea is Cc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccs1.
What is the InChIKey of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is WFFPJXYPDPKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-15(23-16(20-12)13-6-3-2-4-7-13)11-19-17(21)18-10-14-8-5-9-22-14/h2-9H,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 343.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71795363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).