1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea

C16H17N5O2S2 — CID 22970846

IUPAC1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCCc1cnc(CSc2cnc(NC(=O)NCc3cccnc3)s2)o1
InChIInChI=1S/C16H17N5O2S2/c1-2-12-8-18-13(23-12)10-24-14-9-20-16(25-14)21-15(22)19-7-11-4-3-5-17-6-11/h3-6,8-9H,2,7,10H2,1H3,(H2,19,20,21,22)
InChIKeyANLYZDUVZXUURY-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.70
Rot. Bonds7

About 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea

1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 22970846) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID22970846
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCCc1cnc(CSc2cnc(NC(=O)NCc3cccnc3)s2)o1
InChIInChI=1S/C16H17N5O2S2/c1-2-12-8-18-13(23-12)10-24-14-9-20-16(25-14)21-15(22)19-7-11-4-3-5-17-6-11/h3-6,8-9H,2,7,10H2,1H3,(H2,19,20,21,22)
InChIKeyANLYZDUVZXUURY-UHFFFAOYSA-N
XLogP3.70
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

2-Amino-5-thio-substituted thiazole 39
CID 5329670
2-Amino-5-thio-substituted thiazole 40
CID 5329671
2-Amino-5-thio-substituted thiazole 47
CID 5329674
2-Amino-5-thio-substituted thiazole 31
CID 5329687
2-Aminothiazole 3
CID 5329722
2-Aminothiazole 6
CID 5329723
2-Aminothiazole 7
CID 5329724
2-Aminothiazole 8
CID 5329725
1-Propanol, 3-[[[6-[[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]amino]-3-pyridinyl]methyl]amino]-2,2-dimethyl-
CID 5329727
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-4-yl-1,3-thiazol-2-amine
CID 44331969
N-[4-[[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]amino]phenyl]prop-2-enamide
CID 137358323
2-[5-[(5-Tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-cyano-3-(2,6-difluorophenyl)guanidine
CID 10343639

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea (CID 22970846) is 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea is CCc1cnc(CSc2cnc(NC(=O)NCc3cccnc3)s2)o1.
What is the InChIKey of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is ANLYZDUVZXUURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-2-12-8-18-13(23-12)10-24-14-9-20-16(25-14)21-15(22)19-7-11-4-3-5-17-6-11/h3-6,8-9H,2,7,10H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea?
1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 375.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 22970846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).