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

C11H15ClN4S3 — CID 63739393

IUPAC5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)C(Sc1nnc(N(C)C)s1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN4S3/c1-6(13)9(7-4-5-8(12)17-7)18-11-15-14-10(19-11)16(2)3/h4-6,9H,13H2,1-3H3
InChIKeyHCAZOWOGJPZLCS-UHFFFAOYSA-N
MW334.92 g/mol
LogP3.50
Rot. Bonds5

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

5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63739393) has the molecular formula C11H15ClN4S3 and a molecular weight of 334.92 g/mol. Its IUPAC name is 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63739393
Molecular FormulaC11H15ClN4S3
Molecular Weight334.92 g/mol
Exact Mass334.01
IUPAC Name5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)C(Sc1nnc(N(C)C)s1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN4S3/c1-6(13)9(7-4-5-8(12)17-7)18-11-15-14-10(19-11)16(2)3/h4-6,9H,13H2,1-3H3
InChIKeyHCAZOWOGJPZLCS-UHFFFAOYSA-N
XLogP3.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-amino-1-(5-chlorothiophen-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)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738168
5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738336
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241439
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65038348
5-[1-amino-1-(4-fluorophenyl)propan-2-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107524213
5-[1-(4-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737460
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478382
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373
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
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610056

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63739393) is 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(N)C(Sc1nnc(N(C)C)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HCAZOWOGJPZLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S3/c1-6(13)9(7-4-5-8(12)17-7)18-11-15-14-10(19-11)16(2)3/h4-6,9H,13H2,1-3H3.
What are the key properties of 5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 334.92 g/mol, XLogP of 3.50, 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-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63739393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).