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

C17H12N6OS2 — CID 58824766

IUPAC1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1csc(-c2ccncc2)n1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H12N6OS2/c24-16(22-14-10-25-15(21-14)11-4-7-18-8-5-11)23-17-20-13(9-26-17)12-3-1-2-6-19-12/h1-10H,(H2,20,22,23,24)
InChIKeyNUWQATFMHVCSCE-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.37
Rot. Bonds4

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

1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 58824766) has the molecular formula C17H12N6OS2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
PubChem CID58824766
Molecular FormulaC17H12N6OS2
Molecular Weight380.46 g/mol
Exact Mass380.05
IUPAC Name1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1csc(-c2ccncc2)n1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H12N6OS2/c24-16(22-14-10-25-15(21-14)11-4-7-18-8-5-11)23-17-20-13(9-26-17)12-3-1-2-6-19-12/h1-10H,(H2,20,22,23,24)
InChIKeyNUWQATFMHVCSCE-UHFFFAOYSA-N
XLogP4.37
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 58824760
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922340
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771890
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-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771694
1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 23109079
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
4-methyl-2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164239
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (CID 58824766) is 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is O=C(Nc1csc(-c2ccncc2)n1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is NUWQATFMHVCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6OS2/c24-16(22-14-10-25-15(21-14)11-4-7-18-8-5-11)23-17-20-13(9-26-17)12-3-1-2-6-19-12/h1-10H,(H2,20,22,23,24).
What are the key properties of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 380.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 58824766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).