1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea

C19H20N4OS — CID 18451386

IUPAC1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C19H20N4OS/c20-18-17-15(11-25-16(17)9-10-21-18)12-5-7-14(8-6-12)23-19(24)22-13-3-1-2-4-13/h5-11,13H,1-4H2,(H2,20,21)(H2,22,23,24)
InChIKeyKSAXJVKDBCJSHB-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.61
Rot. Bonds3

About 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea (PubChem CID 18451386) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea
PubChem CID18451386
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C19H20N4OS/c20-18-17-15(11-25-16(17)9-10-21-18)12-5-7-14(8-6-12)23-19(24)22-13-3-1-2-4-13/h5-11,13H,1-4H2,(H2,20,21)(H2,22,23,24)
InChIKeyKSAXJVKDBCJSHB-UHFFFAOYSA-N
XLogP4.61
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
1-[5-(4-Aminothieno[3,2-C]pyridin-3-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-2-Phenylethanone
CID 53466728
1-(4-(4-Amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11430894
Thienopyrimidine deriv. 78
CID 6539987
3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
1-[4-[4-amino-7-(1H-pyrrol-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 70693989
1-(4-(4-Amino-7-(pyridin-3-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11259499
1-(4-(4-Amino-7-(pyridin-4-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11590515
1-[4-[4-Amino-7-[3-(methylamino)prop-1-ynyl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 11775063
N-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-2-phenylacetamide
CID 16066694
N-[3-(4-Amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-2-(2-thienyl)acetamide
CID 16223711

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea?
The IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea (CID 18451386) is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea is Nc1nccc2scc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12.
What is the InChIKey of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea?
The InChIKey is KSAXJVKDBCJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-18-17-15(11-25-16(17)9-10-21-18)12-5-7-14(8-6-12)23-19(24)22-13-3-1-2-4-13/h5-11,13H,1-4H2,(H2,20,21)(H2,22,23,24).
What are the key properties of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea?
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea has a molecular weight of 352.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclopentylurea is sourced from PubChem (CID 18451386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).