N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C13H13N3OS — CID 1451463

IUPACN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H13N3OS/c1-8-4-2-3-5-10(8)12-15-16-13(18-12)14-11(17)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,16,17)
InChIKeySMFSRVGTTHXYBK-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.86
Rot. Bonds3

About N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 1451463) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID1451463
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H13N3OS/c1-8-4-2-3-5-10(8)12-15-16-13(18-12)14-11(17)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,16,17)
InChIKeySMFSRVGTTHXYBK-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263045
(2R)-2-bromo-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 7090631
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176866
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 108744279
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
N-[4-[1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 133468283
2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 5082553
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
CID 5170199
N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176926
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 1451463) is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is Cc1ccccc1-c1nnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is SMFSRVGTTHXYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-4-2-3-5-10(8)12-15-16-13(18-12)14-11(17)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,16,17).
What are the key properties of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1451463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).