N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine

C14H21N5S2 — CID 83111053

IUPACN,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNC(C)c1ccc(Sc2nnc(N(C)C)s2)cn1
InChIInChI=1S/C14H21N5S2/c1-5-8-15-10(2)12-7-6-11(9-16-12)20-14-18-17-13(21-14)19(3)4/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeySOAXINMXUZNCEM-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.21
Rot. Bonds7

About N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 83111053) has the molecular formula C14H21N5S2 and a molecular weight of 323.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID83111053
Molecular FormulaC14H21N5S2
Molecular Weight323.49 g/mol
Exact Mass323.12
IUPAC NameN,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNC(C)c1ccc(Sc2nnc(N(C)C)s2)cn1
InChIInChI=1S/C14H21N5S2/c1-5-8-15-10(2)12-7-6-11(9-16-12)20-14-18-17-13(21-14)19(3)4/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeySOAXINMXUZNCEM-UHFFFAOYSA-N
XLogP3.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol
CID 83129114
5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 83123666
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
CID 83124242
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962
5-[2-[1-(ethylamino)ethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736606
N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83111631
5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737803
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
CID 103189382
N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83109972
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 83123991
N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide
CID 114231769
5-[4-chloro-2-(propylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114864204

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine (CID 83111053) is N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine is CCCNC(C)c1ccc(Sc2nnc(N(C)C)s2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SOAXINMXUZNCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S2/c1-5-8-15-10(2)12-7-6-11(9-16-12)20-14-18-17-13(21-14)19(3)4/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 323.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83111053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).