N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C16H20ClN3S — CID 106260847

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C16H20ClN3S/c1-10(2)7-15-19-20-16(21-15)18-14-8-12(9-14)11-3-5-13(17)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3,(H,18,20)
InChIKeyQDYADCAYZCYSEK-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.75
Rot. Bonds5

About N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260847) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260847
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C16H20ClN3S/c1-10(2)7-15-19-20-16(21-15)18-14-8-12(9-14)11-3-5-13(17)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3,(H,18,20)
InChIKeyQDYADCAYZCYSEK-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260466
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-(1,5-dimethylpyrrolidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165481
3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine
CID 106260901
N-[(4-chloro-2-methylphenyl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106261154
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 96564542
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260130
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260724
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine
CID 106260958

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260847) is N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CC(c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QDYADCAYZCYSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-10(2)7-15-19-20-16(21-15)18-14-8-12(9-14)11-3-5-13(17)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 321.88 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).