1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea

C15H18N8O2S — CID 72860216

IUPAC1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCCc1nnc(CNC(=O)Nc2cc(OC)cc(-n3nnnc3C)c2)s1
InChIInChI=1S/C15H18N8O2S/c1-4-13-19-20-14(26-13)8-16-15(24)17-10-5-11(7-12(6-10)25-3)23-9(2)18-21-22-23/h5-7H,4,8H2,1-3H3,(H2,16,17,24)
InChIKeySXSGTYLMRZJPQF-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.71
Rot. Bonds6

About 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea

1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea (PubChem CID 72860216) has the molecular formula C15H18N8O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
PubChem CID72860216
Molecular FormulaC15H18N8O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCCc1nnc(CNC(=O)Nc2cc(OC)cc(-n3nnnc3C)c2)s1
InChIInChI=1S/C15H18N8O2S/c1-4-13-19-20-14(26-13)8-16-15(24)17-10-5-11(7-12(6-10)25-3)23-9(2)18-21-22-23/h5-7H,4,8H2,1-3H3,(H2,16,17,24)
InChIKeySXSGTYLMRZJPQF-UHFFFAOYSA-N
XLogP1.71
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
CID 72879134
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
CID 97284308
1-chloro-3-[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]propan-2-ol
CID 168637806
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55697872
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 72897833
2-[[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]methylidene]propanedinitrile
CID 168542547
ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
CID 144718344
5-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53100082
1-(3,5-dimethoxyphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275982
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 72875622
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea (CID 72860216) is 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea is CCc1nnc(CNC(=O)Nc2cc(OC)cc(-n3nnnc3C)c2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
The InChIKey is SXSGTYLMRZJPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S/c1-4-13-19-20-14(26-13)8-16-15(24)17-10-5-11(7-12(6-10)25-3)23-9(2)18-21-22-23/h5-7H,4,8H2,1-3H3,(H2,16,17,24).
What are the key properties of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea has a molecular weight of 374.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 72860216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).