4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine

C11H19N3OS2 — CID 55140732

IUPAC4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSC1CCOCC1
InChIInChI=1S/C11H19N3OS2/c1-2-5-12-11-10(13-14-17-11)8-16-9-3-6-15-7-4-9/h9,12H,2-8H2,1H3
InChIKeyBCRJBEJQAVYMQD-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.77
Rot. Bonds6

About 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine

4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine (PubChem CID 55140732) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
PubChem CID55140732
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSC1CCOCC1
InChIInChI=1S/C11H19N3OS2/c1-2-5-12-11-10(13-14-17-11)8-16-9-3-6-15-7-4-9/h9,12H,2-8H2,1H3
InChIKeyBCRJBEJQAVYMQD-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55045090
4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187538
N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
CID 62187539
4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187540
N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187560
4-(propan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187732
4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine
CID 62187902
4-(ethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62188029
4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62188085
4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine
CID 62188242
4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62188243
4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine
CID 62188273

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine (CID 55140732) is 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine is CCCNc1snnc1CSC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The InChIKey is BCRJBEJQAVYMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-2-5-12-11-10(13-14-17-11)8-16-9-3-6-15-7-4-9/h9,12H,2-8H2,1H3.
What are the key properties of 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine has a molecular weight of 273.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55140732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).