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

C11H10N2O3S — CID 146469372

IUPAC[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C11H10N2O3S/c14-8-3-1-7(2-4-8)9-6-17-10(13-9)5-12-11(15)16/h1-4,6,12,14H,5H2,(H,15,16)
InChIKeyPVGYWLVVPDBWBE-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.28
Rot. Bonds3

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

[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid (PubChem CID 146469372) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
PubChem CID146469372
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C11H10N2O3S/c14-8-3-1-7(2-4-8)9-6-17-10(13-9)5-12-11(15)16/h1-4,6,12,14H,5H2,(H,15,16)
InChIKeyPVGYWLVVPDBWBE-UHFFFAOYSA-N
XLogP2.28
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110393640
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
CID 136641585
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
4-[2-[[(4-nitrophenyl)methylamino]methyl]-1,3-thiazol-4-yl]phenol
CID 174450675
N'-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617303
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110393700
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid?
The IUPAC name of [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid (CID 146469372) is [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid.
What is the SMILES notation for [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid?
The canonical SMILES for [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid is O=C(O)NCc1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid?
The InChIKey is PVGYWLVVPDBWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-8-3-1-7(2-4-8)9-6-17-10(13-9)5-12-11(15)16/h1-4,6,12,14H,5H2,(H,15,16).
What are the key properties of [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid?
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid has a molecular weight of 250.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid is sourced from PubChem (CID 146469372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).