(1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide

C9H11Cl2N3OS2 — CID 7797433

IUPAC(1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NC(=S)NC2=NCCS2)CC1(Cl)Cl
InChIInChI=1S/C9H11Cl2N3OS2/c1-8(4-9(8,10)11)5(15)13-6(16)14-7-12-2-3-17-7/h2-4H2,1H3,(H2,12,13,14,15,16)/t8-/m1/s1
InChIKeyKUVZJCAWDNYXBZ-MRVPVSSYSA-N
MW312.25 g/mol
LogP1.66
Rot. Bonds1

About (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 7797433) has the molecular formula C9H11Cl2N3OS2 and a molecular weight of 312.25 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide
PubChem CID7797433
Molecular FormulaC9H11Cl2N3OS2
Molecular Weight312.25 g/mol
Exact Mass310.97
IUPAC Name(1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NC(=S)NC2=NCCS2)CC1(Cl)Cl
InChIInChI=1S/C9H11Cl2N3OS2/c1-8(4-9(8,10)11)5(15)13-6(16)14-7-12-2-3-17-7/h2-4H2,1H3,(H2,12,13,14,15,16)/t8-/m1/s1
InChIKeyKUVZJCAWDNYXBZ-MRVPVSSYSA-N
XLogP1.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide (CID 7797433) is (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide is C[C@]1(C(=O)NC(=S)NC2=NCCS2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is KUVZJCAWDNYXBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11Cl2N3OS2/c1-8(4-9(8,10)11)5(15)13-6(16)14-7-12-2-3-17-7/h2-4H2,1H3,(H2,12,13,14,15,16)/t8-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7797433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).