N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine

C15H23N5S2 — CID 87009326

IUPACN-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCn1cc(CCCSc2nnc(NC3CCCCC3)s2)cn1
InChIInChI=1S/C15H23N5S2/c1-20-11-12(10-16-20)6-5-9-21-15-19-18-14(22-15)17-13-7-3-2-4-8-13/h10-11,13H,2-9H2,1H3,(H,17,18)
InChIKeyVEHQTZXNSACGAM-UHFFFAOYSA-N
MW337.52 g/mol
LogP3.74
Rot. Bonds7

About N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine

N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 87009326) has the molecular formula C15H23N5S2 and a molecular weight of 337.52 g/mol. Its IUPAC name is N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID87009326
Molecular FormulaC15H23N5S2
Molecular Weight337.52 g/mol
Exact Mass337.14
IUPAC NameN-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCn1cc(CCCSc2nnc(NC3CCCCC3)s2)cn1
InChIInChI=1S/C15H23N5S2/c1-20-11-12(10-16-20)6-5-9-21-15-19-18-14(22-15)17-13-7-3-2-4-8-13/h10-11,13H,2-9H2,1H3,(H,17,18)
InChIKeyVEHQTZXNSACGAM-UHFFFAOYSA-N
XLogP3.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38656059
6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17426607
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 17463397
N-cyclopropyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 25352768
4-cyclopropyl-3-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole
CID 87009382
N-benzyl-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 40623501
5,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidine
CID 87037559
(4-tert-butylphenyl)methyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7485715
N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide
CID 17460426
N-cyclohexyl-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 40626052

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 87009326) is N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine is Cn1cc(CCCSc2nnc(NC3CCCCC3)s2)cn1.
What is the InChIKey of N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VEHQTZXNSACGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S2/c1-20-11-12(10-16-20)6-5-9-21-15-19-18-14(22-15)17-13-7-3-2-4-8-13/h10-11,13H,2-9H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 337.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 87009326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).