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

C14H11N5OS — CID 18772022

IUPAC1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1cccnc1)Nc1csc(-c2cccnc2)n1
InChIInChI=1S/C14H11N5OS/c20-14(17-11-4-2-6-16-8-11)19-12-9-21-13(18-12)10-3-1-5-15-7-10/h1-9H,(H2,17,19,20)
InChIKeyWQCXHJWRFIHVKC-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.24
Rot. Bonds3

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

1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea (PubChem CID 18772022) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
PubChem CID18772022
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1cccnc1)Nc1csc(-c2cccnc2)n1
InChIInChI=1S/C14H11N5OS/c20-14(17-11-4-2-6-16-8-11)19-12-9-21-13(18-12)10-3-1-5-15-7-10/h1-9H,(H2,17,19,20)
InChIKeyWQCXHJWRFIHVKC-UHFFFAOYSA-N
XLogP3.24
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxy-2-pyridinyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771602
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771890
1-(3-tert-butyl-1λ3-ioda-2-oxacyclopenta-3,5-dien-5-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 163640903
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
CID 151833178
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
1-(3-chlorophenyl)-3-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784338
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771694

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea (CID 18772022) is 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea is O=C(Nc1cccnc1)Nc1csc(-c2cccnc2)n1.
What is the InChIKey of 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
The InChIKey is WQCXHJWRFIHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c20-14(17-11-4-2-6-16-8-11)19-12-9-21-13(18-12)10-3-1-5-15-7-10/h1-9H,(H2,17,19,20).
What are the key properties of 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea has a molecular weight of 297.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 18772022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).