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

C10H8ClN3OS — CID 4101590

IUPAC1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1cccnc1Cl
InChIInChI=1S/C10H8ClN3OS/c11-9-7(3-1-5-12-9)13-10(15)14-8-4-2-6-16-8/h1-6H,(H2,13,14,15)
InChIKeyZFBMNIADLPVNAT-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.44
Rot. Bonds2

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

1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea (PubChem CID 4101590) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea
PubChem CID4101590
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1cccnc1Cl
InChIInChI=1S/C10H8ClN3OS/c11-9-7(3-1-5-12-9)13-10(15)14-8-4-2-6-16-8/h1-6H,(H2,13,14,15)
InChIKeyZFBMNIADLPVNAT-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorophenyl)-3-(5-pyridin-4-ylthiophen-2-yl)urea
CID 155436509
1-(4-Chlorophenyl)-3-(5-pyridin-3-ylthiophen-2-yl)urea
CID 155436767
N-(2-chloropyridin-3-yl)thiophene-2-carboxamide
CID 1154206
Guanidine, N-(2-chloro-3-pyridinyl)-N'-(1,1-dimethylethyl)-N''-2-thiazolyl-
CID 3055129
N-3-pyridinyl-3-(2-thienyl)acrylamide
CID 879707
N-(5-chloropyridin-2-yl)-N'-thien-2-ylurea
CID 3243253
1-(5-Chloro-thiophen-2-yl)-3-(4-methyl-pyridin-3-yl)-imidazolidin-2-one
CID 49872052
1-[(5-Chlorothiophen-2-yl)methyl]-3-(1-pyridin-2-ylethyl)urea
CID 45811299
1-[(5-Chlorothiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 45825799
1-(Pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
CID 47125534
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-(1-pyridin-2-ylethyl)urea
CID 47163986
1-[(5-Chlorothiophen-2-yl)methyl]-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 47221237

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea (CID 4101590) is 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea?
The InChIKey is ZFBMNIADLPVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-9-7(3-1-5-12-9)13-10(15)14-8-4-2-6-16-8/h1-6H,(H2,13,14,15).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea?
1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea has a molecular weight of 253.71 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 4101590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).