[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid

C10H9N3O3S — CID 136641585

IUPAC[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1nnc(-c2ccc(O)cc2)s1
InChIInChI=1S/C10H9N3O3S/c14-7-3-1-6(2-4-7)9-13-12-8(17-9)5-11-10(15)16/h1-4,11,14H,5H2,(H,15,16)
InChIKeyBFYDOLWKIUBWSL-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.68
Rot. Bonds3

About [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid

[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid (PubChem CID 136641585) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
PubChem CID136641585
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1nnc(-c2ccc(O)cc2)s1
InChIInChI=1S/C10H9N3O3S/c14-7-3-1-6(2-4-7)9-13-12-8(17-9)5-11-10(15)16/h1-4,11,14H,5H2,(H,15,16)
InChIKeyBFYDOLWKIUBWSL-UHFFFAOYSA-N
XLogP1.68
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 154751637
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
methyl 4-[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 139271005
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide
CID 75380368
1-(4-chlorophenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874844
1-(2,4-dimethylphenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 71851800
N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide
CID 21156996
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
CID 119816640
2-fluoro-N-[[5-(4-formylphenyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
CID 123918704
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 167947615

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid?
The IUPAC name of [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid (CID 136641585) is [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid.
What is the SMILES notation for [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid?
The canonical SMILES for [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid is O=C(O)NCc1nnc(-c2ccc(O)cc2)s1.
What is the InChIKey of [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid?
The InChIKey is BFYDOLWKIUBWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-7-3-1-6(2-4-7)9-13-12-8(17-9)5-11-10(15)16/h1-4,11,14H,5H2,(H,15,16).
What are the key properties of [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid?
[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid has a molecular weight of 251.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid is sourced from PubChem (CID 136641585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).