4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine

C10H19N3S2 — CID 62188243

IUPAC4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSC(C)CC
InChIInChI=1S/C10H19N3S2/c1-4-6-11-10-9(12-13-15-10)7-14-8(3)5-2/h8,11H,4-7H2,1-3H3
InChIKeyBSMBBIYMPPEFBG-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.39
Rot. Bonds7

About 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine

4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine (PubChem CID 62188243) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
PubChem CID62188243
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSC(C)CC
InChIInChI=1S/C10H19N3S2/c1-4-6-11-10-9(12-13-15-10)7-14-8(3)5-2/h8,11H,4-7H2,1-3H3
InChIKeyBSMBBIYMPPEFBG-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine (CID 62188243) is 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine is CCCNc1snnc1CSC(C)CC.
What is the InChIKey of 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The InChIKey is BSMBBIYMPPEFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-4-6-11-10-9(12-13-15-10)7-14-8(3)5-2/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine?
4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62188243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).