N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide

C14H16ClN3OS — CID 121419936

IUPACN-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide
SMILESCc1cccc(Cl)c1CNC(=O)C1=C(C2CC2)NNS1
InChIInChI=1S/C14H16ClN3OS/c1-8-3-2-4-11(15)10(8)7-16-14(19)13-12(9-5-6-9)17-18-20-13/h2-4,9,17-18H,5-7H2,1H3,(H,16,19)
InChIKeyWUIZLBHJWPPLMA-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.64
Rot. Bonds4

About N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide

N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide (PubChem CID 121419936) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide
PubChem CID121419936
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide
SMILESCc1cccc(Cl)c1CNC(=O)C1=C(C2CC2)NNS1
InChIInChI=1S/C14H16ClN3OS/c1-8-3-2-4-11(15)10(8)7-16-14(19)13-12(9-5-6-9)17-18-20-13/h2-4,9,17-18H,5-7H2,1H3,(H,16,19)
InChIKeyWUIZLBHJWPPLMA-UHFFFAOYSA-N
XLogP2.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide (CID 121419936) is N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide is Cc1cccc(Cl)c1CNC(=O)C1=C(C2CC2)NNS1.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide?
The InChIKey is WUIZLBHJWPPLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-8-3-2-4-11(15)10(8)7-16-14(19)13-12(9-5-6-9)17-18-20-13/h2-4,9,17-18H,5-7H2,1H3,(H,16,19).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide?
N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropyl-2,3-dihydrothiadiazole-5-carboxamide is sourced from PubChem (CID 121419936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).