5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H18N4S3 — CID 63738336

IUPAC5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C(Sc2nnc(N(C)C)s2)C(C)N)s1
InChIInChI=1S/C12H18N4S3/c1-7-5-6-9(17-7)10(8(2)13)18-12-15-14-11(19-12)16(3)4/h5-6,8,10H,13H2,1-4H3
InChIKeyRDHSCDLYVLHTKG-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.15
Rot. Bonds5

About 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738336) has the molecular formula C12H18N4S3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738336
Molecular FormulaC12H18N4S3
Molecular Weight314.51 g/mol
Exact Mass314.07
IUPAC Name5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C(Sc2nnc(N(C)C)s2)C(C)N)s1
InChIInChI=1S/C12H18N4S3/c1-7-5-6-9(17-7)10(8(2)13)18-12-15-14-11(19-12)16(3)4/h5-6,8,10H,13H2,1-4H3
InChIKeyRDHSCDLYVLHTKG-UHFFFAOYSA-N
XLogP3.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739393
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241439
5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738168
5-[1-amino-1-(4-fluorophenyl)propan-2-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107524213
1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 107779770
5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820
1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63237953
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
5-[4-[(1S)-1-aminoethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738712
5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738884
5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 83123666

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738336) is 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1ccc(C(Sc2nnc(N(C)C)s2)C(C)N)s1.
What is the InChIKey of 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RDHSCDLYVLHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S3/c1-7-5-6-9(17-7)10(8(2)13)18-12-15-14-11(19-12)16(3)4/h5-6,8,10H,13H2,1-4H3.
What are the key properties of 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).