(1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide

C10H11Cl2N3OS — CID 35802393

IUPAC(1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2nnc(C3CC3)s2)CC1(Cl)Cl
InChIInChI=1S/C10H11Cl2N3OS/c1-9(4-10(9,11)12)7(16)13-8-15-14-6(17-8)5-2-3-5/h5H,2-4H2,1H3,(H,13,15,16)/t9-/m1/s1
InChIKeyALVBDPUBWVLANU-SECBINFHSA-N
MW292.19 g/mol
LogP2.94
Rot. Bonds3

About (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 35802393) has the molecular formula C10H11Cl2N3OS and a molecular weight of 292.19 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID35802393
Molecular FormulaC10H11Cl2N3OS
Molecular Weight292.19 g/mol
Exact Mass291.00
IUPAC Name(1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2nnc(C3CC3)s2)CC1(Cl)Cl
InChIInChI=1S/C10H11Cl2N3OS/c1-9(4-10(9,11)12)7(16)13-8-15-14-6(17-8)5-2-3-5/h5H,2-4H2,1H3,(H,13,15,16)/t9-/m1/s1
InChIKeyALVBDPUBWVLANU-SECBINFHSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide (CID 35802393) is (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide is C[C@]1(C(=O)Nc2nnc(C3CC3)s2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is ALVBDPUBWVLANU-SECBINFHSA-N. The full InChI is InChI=1S/C10H11Cl2N3OS/c1-9(4-10(9,11)12)7(16)13-8-15-14-6(17-8)5-2-3-5/h5H,2-4H2,1H3,(H,13,15,16)/t9-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 292.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 35802393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).