(4-methylsulfanyl-1,3-thiazol-2-yl) carbamate

C5H6N2O2S2 — CID 68728211

IUPAC(4-methylsulfanyl-1,3-thiazol-2-yl) carbamate
SMILESCSc1csc(OC(N)=O)n1
InChIInChI=1S/C5H6N2O2S2/c1-10-3-2-11-5(7-3)9-4(6)8/h2H,1H3,(H2,6,8)
InChIKeyBNLQJWTUQHGCBB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds2

About (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate

(4-methylsulfanyl-1,3-thiazol-2-yl) carbamate (PubChem CID 68728211) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate.

Molecular Properties

Compound Name(4-methylsulfanyl-1,3-thiazol-2-yl) carbamate
PubChem CID68728211
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name(4-methylsulfanyl-1,3-thiazol-2-yl) carbamate
SMILESCSc1csc(OC(N)=O)n1
InChIInChI=1S/C5H6N2O2S2/c1-10-3-2-11-5(7-3)9-4(6)8/h2H,1H3,(H2,6,8)
InChIKeyBNLQJWTUQHGCBB-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate?
The IUPAC name of (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate (CID 68728211) is (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate.
What is the SMILES notation for (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate?
The canonical SMILES for (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate is CSc1csc(OC(N)=O)n1.
What is the InChIKey of (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate?
The InChIKey is BNLQJWTUQHGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-10-3-2-11-5(7-3)9-4(6)8/h2H,1H3,(H2,6,8).
What are the key properties of (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate?
(4-methylsulfanyl-1,3-thiazol-2-yl) carbamate has a molecular weight of 190.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-1,3-thiazol-2-yl) carbamate is sourced from PubChem (CID 68728211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).