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

C12H17ClN4S3 — CID 63738168

IUPAC5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCC(N)C(Sc1nnc(N(C)C)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN4S3/c1-4-7(14)10(8-5-6-9(13)18-8)19-12-16-15-11(20-12)17(2)3/h5-7,10H,4,14H2,1-3H3
InChIKeyJLSWWZPXPZSOOV-UHFFFAOYSA-N
MW348.95 g/mol
LogP3.89
Rot. Bonds6

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

5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738168) has the molecular formula C12H17ClN4S3 and a molecular weight of 348.95 g/mol. Its IUPAC name is 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738168
Molecular FormulaC12H17ClN4S3
Molecular Weight348.95 g/mol
Exact Mass348.03
IUPAC Name5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCC(N)C(Sc1nnc(N(C)C)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN4S3/c1-4-7(14)10(8-5-6-9(13)18-8)19-12-16-15-11(20-12)17(2)3/h5-7,10H,4,14H2,1-3H3
InChIKeyJLSWWZPXPZSOOV-UHFFFAOYSA-N
XLogP3.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.95
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]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-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738336
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65039022
5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610056
3-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanylpropane-1,2-diol
CID 79682275
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine
CID 63537073
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241439
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738884
5-[1-amino-1-(4-fluorophenyl)propan-2-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107524213
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738168) is 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCC(N)C(Sc1nnc(N(C)C)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JLSWWZPXPZSOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4S3/c1-4-7(14)10(8-5-6-9(13)18-8)19-12-16-15-11(20-12)17(2)3/h5-7,10H,4,14H2,1-3H3.
What are the key properties of 5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 348.95 g/mol, XLogP of 3.89, 6 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-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).