[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate

C9H15N3O2S2 — CID 126697424

IUPAC[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate
SMILESCN(C)CCSc1ncc(COC(N)=O)s1
InChIInChI=1S/C9H15N3O2S2/c1-12(2)3-4-15-9-11-5-7(16-9)6-14-8(10)13/h5H,3-4,6H2,1-2H3,(H2,10,13)
InChIKeyPEGDEWPDUBNJAQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.39
Rot. Bonds6

About [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate

[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate (PubChem CID 126697424) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate
PubChem CID126697424
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate
SMILESCN(C)CCSc1ncc(COC(N)=O)s1
InChIInChI=1S/C9H15N3O2S2/c1-12(2)3-4-15-9-11-5-7(16-9)6-14-8(10)13/h5H,3-4,6H2,1-2H3,(H2,10,13)
InChIKeyPEGDEWPDUBNJAQ-UHFFFAOYSA-N
XLogP1.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate?
The IUPAC name of [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate (CID 126697424) is [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate.
What is the SMILES notation for [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate?
The canonical SMILES for [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate is CN(C)CCSc1ncc(COC(N)=O)s1.
What is the InChIKey of [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate?
The InChIKey is PEGDEWPDUBNJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-12(2)3-4-15-9-11-5-7(16-9)6-14-8(10)13/h5H,3-4,6H2,1-2H3,(H2,10,13).
What are the key properties of [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate?
[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate has a molecular weight of 261.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate is sourced from PubChem (CID 126697424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).