N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine

C14H17N3S — CID 12725099

IUPACN-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C14H17N3S/c1-3-7-11(8-4-1)13-16-14(18-17-13)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16,17)
InChIKeyHCNAVWYCPQPEIC-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.95
Rot. Bonds3

About N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine

N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 12725099) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID12725099
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C14H17N3S/c1-3-7-11(8-4-1)13-16-14(18-17-13)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16,17)
InChIKeyHCNAVWYCPQPEIC-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 852345
N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 2725972
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 70975277
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
N~2~,N~4~-Diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 16081
2-N,4-N-bis(but-3-enyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 117817328

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine (CID 12725099) is N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine is c1ccc(-c2nsc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HCNAVWYCPQPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-7-11(8-4-1)13-16-14(18-17-13)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16,17).
What are the key properties of N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine?
N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 259.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 12725099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).