S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate

C7H10N2OS2 — CID 13378798

IUPACS-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate
SMILESCc1cnc(SC(=O)N(C)C)s1
InChIInChI=1S/C7H10N2OS2/c1-5-4-8-6(11-5)12-7(10)9(2)3/h4H,1-3H3
InChIKeyKRINILZHZPRTMM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.23
Rot. Bonds1

About S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate

S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate (PubChem CID 13378798) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate
PubChem CID13378798
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC NameS-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate
SMILESCc1cnc(SC(=O)N(C)C)s1
InChIInChI=1S/C7H10N2OS2/c1-5-4-8-6(11-5)12-7(10)9(2)3/h4H,1-3H3
InChIKeyKRINILZHZPRTMM-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate?
The IUPAC name of S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate (CID 13378798) is S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate?
The canonical SMILES for S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate is Cc1cnc(SC(=O)N(C)C)s1.
What is the InChIKey of S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate?
The InChIKey is KRINILZHZPRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-5-4-8-6(11-5)12-7(10)9(2)3/h4H,1-3H3.
What are the key properties of S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate?
S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate has a molecular weight of 202.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(5-methyl-1,3-thiazol-2-yl)] N,N-dimethylcarbamothioate is sourced from PubChem (CID 13378798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).