1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C20H24N4O2S — CID 60611908

IUPAC1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCc3sccc3C2)cc1
InChIInChI=1S/C20H24N4O2S/c25-19(23-9-1-2-10-23)13-21-20(26)22-16-3-5-17(6-4-16)24-11-7-18-15(14-24)8-12-27-18/h3-6,8,12H,1-2,7,9-11,13-14H2,(H2,21,22,26)
InChIKeyRRPNDZLNHQHICQ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 60611908) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID60611908
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCc3sccc3C2)cc1
InChIInChI=1S/C20H24N4O2S/c25-19(23-9-1-2-10-23)13-21-20(26)22-16-3-5-17(6-4-16)24-11-7-18-15(14-24)8-12-27-18/h3-6,8,12H,1-2,7,9-11,13-14H2,(H2,21,22,26)
InChIKeyRRPNDZLNHQHICQ-UHFFFAOYSA-N
XLogP3.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60612010
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 86875039
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]urea
CID 60612089
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60611860
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
ethyl N-[3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)anilino]-3-oxopropyl]carbamate
CID 51129942
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide
CID 51129821
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide
CID 86996837
4-(azepane-1-carbonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidine-1-carboxamide
CID 86882077
4-bromo-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 60611908) is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCc3sccc3C2)cc1.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is RRPNDZLNHQHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-19(23-9-1-2-10-23)13-21-20(26)22-16-3-5-17(6-4-16)24-11-7-18-15(14-24)8-12-27-18/h3-6,8,12H,1-2,7,9-11,13-14H2,(H2,21,22,26).
What are the key properties of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 384.51 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 60611908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).