1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea

C12H11ClN2OS — CID 20886019

IUPAC1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cccs1
InChIInChI=1S/C12H11ClN2OS/c1-8-9(13)4-2-5-10(8)14-12(16)15-11-6-3-7-17-11/h2-7H,1H3,(H2,14,15,16)
InChIKeyVINAOLDGGXDRFS-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.35
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea

1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea (PubChem CID 20886019) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
PubChem CID20886019
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cccs1
InChIInChI=1S/C12H11ClN2OS/c1-8-9(13)4-2-5-10(8)14-12(16)15-11-6-3-7-17-11/h2-7H,1H3,(H2,14,15,16)
InChIKeyVINAOLDGGXDRFS-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 94288943
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea (CID 20886019) is 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea is Cc1c(Cl)cccc1NC(=O)Nc1cccs1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea?
The InChIKey is VINAOLDGGXDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-9(13)4-2-5-10(8)14-12(16)15-11-6-3-7-17-11/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea?
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea has a molecular weight of 266.75 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 20886019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).