1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea

C18H19N3OS — CID 11957066

IUPAC1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea
SMILESCc1ccc(C)c(CNC(=O)Nc2c(C)sc3cnccc23)c1
InChIInChI=1S/C18H19N3OS/c1-11-4-5-12(2)14(8-11)9-20-18(22)21-17-13(3)23-16-10-19-7-6-15(16)17/h4-8,10H,9H2,1-3H3,(H2,20,21,22)
InChIKeyDSWSTDIVFOEBLE-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.54
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea

1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea (PubChem CID 11957066) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea
PubChem CID11957066
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea
SMILESCc1ccc(C)c(CNC(=O)Nc2c(C)sc3cnccc23)c1
InChIInChI=1S/C18H19N3OS/c1-11-4-5-12(2)14(8-11)9-20-18(22)21-17-13(3)23-16-10-19-7-6-15(16)17/h4-8,10H,9H2,1-3H3,(H2,20,21,22)
InChIKeyDSWSTDIVFOEBLE-UHFFFAOYSA-N
XLogP4.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide
CID 66858838
1-amino-3-[(2,5-dimethylphenyl)methyl]urea
CID 115192596
1-[(2,5-dimethylphenyl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 46996826
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458
1-[(2,5-dimethylphenyl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea;2,2,2-trifluoroacetic acid
CID 154890585
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,4-dimethylphenyl)methyl]urea
CID 52663906
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea (CID 11957066) is 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea is Cc1ccc(C)c(CNC(=O)Nc2c(C)sc3cnccc23)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea?
The InChIKey is DSWSTDIVFOEBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-4-5-12(2)14(8-11)9-20-18(22)21-17-13(3)23-16-10-19-7-6-15(16)17/h4-8,10H,9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea?
1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea has a molecular weight of 325.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3-(2-methylthieno[2,3-c]pyridin-3-yl)urea is sourced from PubChem (CID 11957066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).