2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

C11H15Cl2N3OS — CID 51298157

IUPAC2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(C)CC2(Cl)Cl)s1
InChIInChI=1S/C11H15Cl2N3OS/c1-6(2)4-7-15-16-9(18-7)14-8(17)10(3)5-11(10,12)13/h6H,4-5H2,1-3H3,(H,14,16,17)
InChIKeySYSNXOONJUWUSJ-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.26
Rot. Bonds4

About 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 51298157) has the molecular formula C11H15Cl2N3OS and a molecular weight of 308.23 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID51298157
Molecular FormulaC11H15Cl2N3OS
Molecular Weight308.23 g/mol
Exact Mass307.03
IUPAC Name2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(C)CC2(Cl)Cl)s1
InChIInChI=1S/C11H15Cl2N3OS/c1-6(2)4-7-15-16-9(18-7)14-8(17)10(3)5-11(10,12)13/h6H,4-5H2,1-3H3,(H,14,16,17)
InChIKeySYSNXOONJUWUSJ-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 106261056
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 103826076
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 103821976
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
(Z)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 24836004
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (CID 51298157) is 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is CC(C)Cc1nnc(NC(=O)C2(C)CC2(Cl)Cl)s1.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is SYSNXOONJUWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3OS/c1-6(2)4-7-15-16-9(18-7)14-8(17)10(3)5-11(10,12)13/h6H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 308.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51298157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).