N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C14H26N4S2 — CID 79573661

IUPACN,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNC1CCCC1CCSc1nnc(N(C)C)s1
InChIInChI=1S/C14H26N4S2/c1-4-9-15-12-7-5-6-11(12)8-10-19-14-17-16-13(20-14)18(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyKTZRWKAWUMWJMM-UHFFFAOYSA-N
MW314.52 g/mol
LogP3.25
Rot. Bonds8

About N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79573661) has the molecular formula C14H26N4S2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID79573661
Molecular FormulaC14H26N4S2
Molecular Weight314.52 g/mol
Exact Mass314.16
IUPAC NameN,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNC1CCCC1CCSc1nnc(N(C)C)s1
InChIInChI=1S/C14H26N4S2/c1-4-9-15-12-7-5-6-11(12)8-10-19-14-17-16-13(20-14)18(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyKTZRWKAWUMWJMM-UHFFFAOYSA-N
XLogP3.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 79576785
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79577014
5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 66473765
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64806496
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104754986
2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577348
5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64612308
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
CID 79576187
2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79576807
5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241636

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 79573661) is N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCNC1CCCC1CCSc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KTZRWKAWUMWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S2/c1-4-9-15-12-7-5-6-11(12)8-10-19-14-17-16-13(20-14)18(2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 314.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79573661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).