N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine

C10H19N3S — CID 65204269

IUPACN-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1snnc1C(C)C
InChIInChI=1S/C10H19N3S/c1-5-8(4)11-6-9-10(7(2)3)12-13-14-9/h7-8,11H,5-6H2,1-4H3
InChIKeyWXIYRBGTXGDAGN-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.55
Rot. Bonds5

About N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine

N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine (PubChem CID 65204269) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine
PubChem CID65204269
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1snnc1C(C)C
InChIInChI=1S/C10H19N3S/c1-5-8(4)11-6-9-10(7(2)3)12-13-14-9/h7-8,11H,5-6H2,1-4H3
InChIKeyWXIYRBGTXGDAGN-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine (CID 65204269) is N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine is CCC(C)NCc1snnc1C(C)C.
What is the InChIKey of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine?
The InChIKey is WXIYRBGTXGDAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-8(4)11-6-9-10(7(2)3)12-13-14-9/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine?
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 65204269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).