N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide

C17H21N3OS — CID 1451435

IUPACN-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
SMILESCC(C)(C)c1ccc(-c2nnc(NC(=O)C3CCC3)s2)cc1
InChIInChI=1S/C17H21N3OS/c1-17(2,3)13-9-7-12(8-10-13)15-19-20-16(22-15)18-14(21)11-5-4-6-11/h7-11H,4-6H2,1-3H3,(H,18,20,21)
InChIKeyKFRJXEXFQVSCMO-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.24
Rot. Bonds3

About N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide (PubChem CID 1451435) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
PubChem CID1451435
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
SMILESCC(C)(C)c1ccc(-c2nnc(NC(=O)C3CCC3)s2)cc1
InChIInChI=1S/C17H21N3OS/c1-17(2,3)13-9-7-12(8-10-13)15-19-20-16(22-15)18-14(21)11-5-4-6-11/h7-11H,4-6H2,1-3H3,(H,18,20,21)
InChIKeyKFRJXEXFQVSCMO-UHFFFAOYSA-N
XLogP4.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 945350
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 42737473
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176866
2-(4-tert-butylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 5096630
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22282337
N-[(2S)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]cyclobutanecarboxamide
CID 7283839
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 3116147
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119787234

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide (CID 1451435) is N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide is CC(C)(C)c1ccc(-c2nnc(NC(=O)C3CCC3)s2)cc1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is KFRJXEXFQVSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-17(2,3)13-9-7-12(8-10-13)15-19-20-16(22-15)18-14(21)11-5-4-6-11/h7-11H,4-6H2,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide?
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 1451435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).