1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

C16H17N5O3S — CID 47050444

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCCCOCc1ccco1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H17N5O3S/c22-15(18-8-4-9-23-11-12-5-3-10-24-12)19-16-21-20-14(25-16)13-6-1-2-7-17-13/h1-3,5-7,10H,4,8-9,11H2,(H2,18,19,21,22)
InChIKeyUZTJLDIJKFZLNL-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.92
Rot. Bonds8

About 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 47050444) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID47050444
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCCCOCc1ccco1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H17N5O3S/c22-15(18-8-4-9-23-11-12-5-3-10-24-12)19-16-21-20-14(25-16)13-6-1-2-7-17-13/h1-3,5-7,10H,4,8-9,11H2,(H2,18,19,21,22)
InChIKeyUZTJLDIJKFZLNL-UHFFFAOYSA-N
XLogP2.92
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367
1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86994306
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 47050444) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is O=C(NCCCOCc1ccco1)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is UZTJLDIJKFZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c22-15(18-8-4-9-23-11-12-5-3-10-24-12)19-16-21-20-14(25-16)13-6-1-2-7-17-13/h1-3,5-7,10H,4,8-9,11H2,(H2,18,19,21,22).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 359.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47050444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).