1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

C14H9Cl2N5OS — CID 2796840

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H9Cl2N5OS/c15-12-5-10(6-13(16)19-12)18-14(22)17-9-3-1-8(2-4-9)11-7-23-21-20-11/h1-7H,(H2,17,18,19,22)
InChIKeyKMTRXJRUIWIHEX-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.55
Rot. Bonds3

About 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 2796840) has the molecular formula C14H9Cl2N5OS and a molecular weight of 366.23 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID2796840
Molecular FormulaC14H9Cl2N5OS
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H9Cl2N5OS/c15-12-5-10(6-13(16)19-12)18-14(22)17-9-3-1-8(2-4-9)11-7-23-21-20-11/h1-7H,(H2,17,18,19,22)
InChIKeyKMTRXJRUIWIHEX-UHFFFAOYSA-N
XLogP4.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
CID 2739288
2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984940
2-naphthalen-2-yloxy-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984946
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
CID 55984772
2,2-dimethyl-3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 166249699
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 95768858
tert-butyl N-[3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55984007
2-(3-methoxyphenyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 154795771
N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730716
(1S,2S,3S,4R)-3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98386527

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 2796840) is 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is KMTRXJRUIWIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5OS/c15-12-5-10(6-13(16)19-12)18-14(22)17-9-3-1-8(2-4-9)11-7-23-21-20-11/h1-7H,(H2,17,18,19,22).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 366.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 2796840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).