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

C13H11N5OS2 — CID 59922340

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESCc1csc(NC(=O)Nc2csc(-c3ccncc3)n2)n1
InChIInChI=1S/C13H11N5OS2/c1-8-6-21-13(15-8)18-12(19)17-10-7-20-11(16-10)9-2-4-14-5-3-9/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyKKDRIBISBTYOLB-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.61
Rot. Bonds3

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

1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 59922340) has the molecular formula C13H11N5OS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
PubChem CID59922340
Molecular FormulaC13H11N5OS2
Molecular Weight317.40 g/mol
Exact Mass317.04
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESCc1csc(NC(=O)Nc2csc(-c3ccncc3)n2)n1
InChIInChI=1S/C13H11N5OS2/c1-8-6-21-13(15-8)18-12(19)17-10-7-20-11(16-10)9-2-4-14-5-3-9/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyKKDRIBISBTYOLB-UHFFFAOYSA-N
XLogP3.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(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-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
CID 58824766
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 23109079
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47434402
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771890
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957
1-[4-(diethylaminomethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771982
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
CID 10133503
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 59922340) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is Cc1csc(NC(=O)Nc2csc(-c3ccncc3)n2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The InChIKey is KKDRIBISBTYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS2/c1-8-6-21-13(15-8)18-12(19)17-10-7-20-11(16-10)9-2-4-14-5-3-9/h2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea has a molecular weight of 317.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 59922340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).