N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide

C14H14ClN3OS — CID 25189477

IUPACN-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
SMILESCc1cccc(Cl)c1CNC(=O)c1snnc1C1CC1
InChIInChI=1S/C14H14ClN3OS/c1-8-3-2-4-11(15)10(8)7-16-14(19)13-12(9-5-6-9)17-18-20-13/h2-4,9H,5-7H2,1H3,(H,16,19)
InChIKeyMVXGTQIJLURZII-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.31
Rot. Bonds4

About N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide

N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide (PubChem CID 25189477) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
PubChem CID25189477
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
SMILESCc1cccc(Cl)c1CNC(=O)c1snnc1C1CC1
InChIInChI=1S/C14H14ClN3OS/c1-8-3-2-4-11(15)10(8)7-16-14(19)13-12(9-5-6-9)17-18-20-13/h2-4,9H,5-7H2,1H3,(H,16,19)
InChIKeyMVXGTQIJLURZII-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-thiadiazole-5-carboxamide
CID 332921
1,2,3-Thiadiazole-5-carboxamide,N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropyl-
CID 24755357
N-[(2-chloro-3,6-difluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25189550
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25189551
N-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 25190348
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25190399
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide
CID 25190400
1,2,3-Thiadiazole-5-carboxamide, N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropyl-
CID 44443739
N-[(2-chloro-6-fluorophenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 6917377
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide
CID 25190401
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide
CID 25190402

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide (CID 25189477) is N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide is Cc1cccc(Cl)c1CNC(=O)c1snnc1C1CC1.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is MVXGTQIJLURZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-8-3-2-4-11(15)10(8)7-16-14(19)13-12(9-5-6-9)17-18-20-13/h2-4,9H,5-7H2,1H3,(H,16,19).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide has a molecular weight of 307.81 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 25189477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).