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

C15H13N5OS — CID 18771694

IUPAC1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESCc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1
InChIInChI=1S/C15H13N5OS/c1-10-3-2-4-12(17-10)19-15(21)20-13-9-22-14(18-13)11-5-7-16-8-6-11/h2-9H,1H3,(H2,17,19,20,21)
InChIKeyVLBMTFJOHPEAGC-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.55
Rot. Bonds3

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

1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 18771694) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
PubChem CID18771694
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESCc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1
InChIInChI=1S/C15H13N5OS/c1-10-3-2-4-12(17-10)19-15(21)20-13-9-22-14(18-13)11-5-7-16-8-6-11/h2-9H,1H3,(H2,17,19,20,21)
InChIKeyVLBMTFJOHPEAGC-UHFFFAOYSA-N
XLogP3.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 23109079
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-(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-[6-[(2-tert-butyl-1H-pyrrol-3-yl)methoxy]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 158728867
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
CID 58824766
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-(1-pyrrolidin-3-ylethoxy)-2-pyridinyl]urea
CID 18771808
1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922335
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 18771694) is 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is Cc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The InChIKey is VLBMTFJOHPEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-3-2-4-12(17-10)19-15(21)20-13-9-22-14(18-13)11-5-7-16-8-6-11/h2-9H,1H3,(H2,17,19,20,21).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea has a molecular weight of 311.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 18771694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).