N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C15H25N5O2S2 — CID 46826377

IUPACN-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCCNc1nnc(SC(C)C(=O)NC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H25N5O2S2/c1-3-9-16-14-19-20-15(24-14)23-10(2)12(21)18-13(22)17-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,19)(H2,17,18,21,22)
InChIKeyBERCGLOWIBNRIA-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.00
Rot. Bonds7

About N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 46826377) has the molecular formula C15H25N5O2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID46826377
Molecular FormulaC15H25N5O2S2
Molecular Weight371.53 g/mol
Exact Mass371.14
IUPAC NameN-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCCNc1nnc(SC(C)C(=O)NC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H25N5O2S2/c1-3-9-16-14-19-20-15(24-14)23-10(2)12(21)18-13(22)17-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,19)(H2,17,18,21,22)
InChIKeyBERCGLOWIBNRIA-UHFFFAOYSA-N
XLogP3.00
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557489
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
CID 18123434
N-(cyclopropylcarbamoyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46664671
(2R)-N-cyclopentyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40810925
N-cyclohexyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46826483
(2S)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 9101909
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378718
N-(cyclopropylcarbamoyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46674836
2-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)propanamide
CID 24519345
(2R)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylpropanamide
CID 8939009
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 43030011

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 46826377) is N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCCNc1nnc(SC(C)C(=O)NC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is BERCGLOWIBNRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S2/c1-3-9-16-14-19-20-15(24-14)23-10(2)12(21)18-13(22)17-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,19)(H2,17,18,21,22).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 371.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 46826377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).