[4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid

C8H12N2O3S — CID 22489979

IUPAC[4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid
SMILESO=C(O)NCCCC(O)c1nccs1
InChIInChI=1S/C8H12N2O3S/c11-6(7-9-4-5-14-7)2-1-3-10-8(12)13/h4-6,10-11H,1-3H2,(H,12,13)
InChIKeyWRFJVMKAFFDPNJ-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.22
Rot. Bonds5

About [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid

[4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid (PubChem CID 22489979) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid.

Molecular Properties

Compound Name[4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid
PubChem CID22489979
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name[4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid
SMILESO=C(O)NCCCC(O)c1nccs1
InChIInChI=1S/C8H12N2O3S/c11-6(7-9-4-5-14-7)2-1-3-10-8(12)13/h4-6,10-11H,1-3H2,(H,12,13)
InChIKeyWRFJVMKAFFDPNJ-UHFFFAOYSA-N
XLogP1.22
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid?
The IUPAC name of [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid (CID 22489979) is [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid.
What is the SMILES notation for [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid?
The canonical SMILES for [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid is O=C(O)NCCCC(O)c1nccs1.
What is the InChIKey of [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid?
The InChIKey is WRFJVMKAFFDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c11-6(7-9-4-5-14-7)2-1-3-10-8(12)13/h4-6,10-11H,1-3H2,(H,12,13).
What are the key properties of [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid?
[4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid has a molecular weight of 216.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(1,3-thiazol-2-yl)butyl]carbamic acid is sourced from PubChem (CID 22489979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).