N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide

C14H15N3OS — CID 32620190

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1nnc(NC(=O)C2(c3ccccc3)CCC2)s1
InChIInChI=1S/C14H15N3OS/c1-10-16-17-13(19-10)15-12(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,15,17,18)
InChIKeyGCIVRSSGVYUXAB-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.91
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 32620190) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID32620190
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1nnc(NC(=O)C2(c3ccccc3)CCC2)s1
InChIInChI=1S/C14H15N3OS/c1-10-16-17-13(19-10)15-12(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,15,17,18)
InChIKeyGCIVRSSGVYUXAB-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 100590163
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 51122663
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-phenyloxane-4-carboxamide
CID 56829316
2,4-dimethyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 154754382
1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765206
1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 55557062
N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
CID 110473533

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide (CID 32620190) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide is Cc1nnc(NC(=O)C2(c3ccccc3)CCC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is GCIVRSSGVYUXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-16-17-13(19-10)15-12(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 32620190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).