(3-methyl-1-benzothiophen-5-yl)methylurea

C11H12N2OS — CID 20824579

IUPAC(3-methyl-1-benzothiophen-5-yl)methylurea
SMILESCc1csc2ccc(CNC(N)=O)cc12
InChIInChI=1S/C11H12N2OS/c1-7-6-15-10-3-2-8(4-9(7)10)5-13-11(12)14/h2-4,6H,5H2,1H3,(H3,12,13,14)
InChIKeyAESCZTZTHDKJDN-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.38
Rot. Bonds2

About (3-methyl-1-benzothiophen-5-yl)methylurea

(3-methyl-1-benzothiophen-5-yl)methylurea (PubChem CID 20824579) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3-methyl-1-benzothiophen-5-yl)methylurea.

Molecular Properties

Compound Name(3-methyl-1-benzothiophen-5-yl)methylurea
PubChem CID20824579
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3-methyl-1-benzothiophen-5-yl)methylurea
SMILESCc1csc2ccc(CNC(N)=O)cc12
InChIInChI=1S/C11H12N2OS/c1-7-6-15-10-3-2-8(4-9(7)10)5-13-11(12)14/h2-4,6H,5H2,1H3,(H3,12,13,14)
InChIKeyAESCZTZTHDKJDN-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzothiophen-5-yl)methylurea?
The IUPAC name of (3-methyl-1-benzothiophen-5-yl)methylurea (CID 20824579) is (3-methyl-1-benzothiophen-5-yl)methylurea.
What is the SMILES notation for (3-methyl-1-benzothiophen-5-yl)methylurea?
The canonical SMILES for (3-methyl-1-benzothiophen-5-yl)methylurea is Cc1csc2ccc(CNC(N)=O)cc12.
What is the InChIKey of (3-methyl-1-benzothiophen-5-yl)methylurea?
The InChIKey is AESCZTZTHDKJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-6-15-10-3-2-8(4-9(7)10)5-13-11(12)14/h2-4,6H,5H2,1H3,(H3,12,13,14).
What are the key properties of (3-methyl-1-benzothiophen-5-yl)methylurea?
(3-methyl-1-benzothiophen-5-yl)methylurea has a molecular weight of 220.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzothiophen-5-yl)methylurea is sourced from PubChem (CID 20824579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).