(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid

C7H10N2O2S2 — CID 87456423

IUPAC(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid
SMILESCCc1nc(NC(=O)O)sc1SC
InChIInChI=1S/C7H10N2O2S2/c1-3-4-5(12-2)13-6(8-4)9-7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyJEZAWJAVTVFNMC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds3

About (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid

(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 87456423) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID87456423
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid
SMILESCCc1nc(NC(=O)O)sc1SC
InChIInChI=1S/C7H10N2O2S2/c1-3-4-5(12-2)13-6(8-4)9-7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyJEZAWJAVTVFNMC-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid (CID 87456423) is (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid is CCc1nc(NC(=O)O)sc1SC.
What is the InChIKey of (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is JEZAWJAVTVFNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-3-4-5(12-2)13-6(8-4)9-7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid?
(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 218.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 87456423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).