1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea

C12H13N3OS — CID 127514333

IUPAC1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCN(Cc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS/c1-15(9-10-5-3-2-4-6-10)12(16)14-11-13-7-8-17-11/h2-8H,9H2,1H3,(H,13,14,16)
InChIKeyPXBBTVAZMZNXKY-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.81
Rot. Bonds3

About 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea

1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 127514333) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
PubChem CID127514333
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCN(Cc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS/c1-15(9-10-5-3-2-4-6-10)12(16)14-11-13-7-8-17-11/h2-8H,9H2,1H3,(H,13,14,16)
InChIKeyPXBBTVAZMZNXKY-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 47148467
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94503654
N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694015
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea (CID 127514333) is 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea is CN(Cc1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is PXBBTVAZMZNXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15(9-10-5-3-2-4-6-10)12(16)14-11-13-7-8-17-11/h2-8H,9H2,1H3,(H,13,14,16).
What are the key properties of 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 247.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 127514333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).