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

C14H26N4S2 — CID 104754986

IUPAC5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNC(CSc1nnc(N(C)C)s1)C1CCCC1
InChIInChI=1S/C14H26N4S2/c1-4-9-15-12(11-7-5-6-8-11)10-19-14-17-16-13(20-14)18(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeySVDXROKUTCPONS-UHFFFAOYSA-N
MW314.52 g/mol
LogP3.25
Rot. Bonds8

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

5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 104754986) has the molecular formula C14H26N4S2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID104754986
Molecular FormulaC14H26N4S2
Molecular Weight314.52 g/mol
Exact Mass314.16
IUPAC Name5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNC(CSc1nnc(N(C)C)s1)C1CCCC1
InChIInChI=1S/C14H26N4S2/c1-4-9-15-12(11-7-5-6-8-11)10-19-14-17-16-13(20-14)18(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeySVDXROKUTCPONS-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

5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64612308
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 104756010
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425
N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 79573661
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63736625
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
5-[2-(ethylamino)-3-methoxypropyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107511193
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 104754986) is 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCNC(CSc1nnc(N(C)C)s1)C1CCCC1.
What is the InChIKey of 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SVDXROKUTCPONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S2/c1-4-9-15-12(11-7-5-6-8-11)10-19-14-17-16-13(20-14)18(2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-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 5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104754986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).