1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

C14H10BrN5OS — CID 23109079

IUPAC1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1cccc(Br)n1)Nc1csc(-c2ccncc2)n1
InChIInChI=1S/C14H10BrN5OS/c15-10-2-1-3-11(17-10)19-14(21)20-12-8-22-13(18-12)9-4-6-16-7-5-9/h1-8H,(H2,17,19,20,21)
InChIKeyCQOPECNAJKRDRD-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.01
Rot. Bonds3

About 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 23109079) has the molecular formula C14H10BrN5OS and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
PubChem CID23109079
Molecular FormulaC14H10BrN5OS
Molecular Weight376.24 g/mol
Exact Mass374.98
IUPAC Name1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1cccc(Br)n1)Nc1csc(-c2ccncc2)n1
InChIInChI=1S/C14H10BrN5OS/c15-10-2-1-3-11(17-10)19-14(21)20-12-8-22-13(18-12)9-4-6-16-7-5-9/h1-8H,(H2,17,19,20,21)
InChIKeyCQOPECNAJKRDRD-UHFFFAOYSA-N
XLogP4.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771694
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
CID 10133503
1-[6-[(3-hydroxypropylamino)methyl]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771665
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 58824760
1-[6-(azepan-1-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea;hydrochloride
CID 69410895
methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 159301602
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922340
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
CID 58824766
1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922335
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]urea
CID 18771874
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18772005
1-[6-[(2-tert-butyl-1H-pyrrol-3-yl)methoxy]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 158728867

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 23109079) is 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is O=C(Nc1cccc(Br)n1)Nc1csc(-c2ccncc2)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The InChIKey is CQOPECNAJKRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5OS/c15-10-2-1-3-11(17-10)19-14(21)20-12-8-22-13(18-12)9-4-6-16-7-5-9/h1-8H,(H2,17,19,20,21).
What are the key properties of 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea has a molecular weight of 376.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 23109079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).