2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine

C10H20N4S — CID 43664040

IUPAC2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CNCc1csnn1)N(C)C
InChIInChI=1S/C10H20N4S/c1-8(2)10(14(3)4)6-11-5-9-7-15-13-12-9/h7-8,10-11H,5-6H2,1-4H3
InChIKeyJVPPZNGIOYUXIB-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.21
Rot. Bonds6

About 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine (PubChem CID 43664040) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine
PubChem CID43664040
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CNCc1csnn1)N(C)C
InChIInChI=1S/C10H20N4S/c1-8(2)10(14(3)4)6-11-5-9-7-15-13-12-9/h7-8,10-11H,5-6H2,1-4H3
InChIKeyJVPPZNGIOYUXIB-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine (CID 43664040) is 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine is CC(C)C(CNCc1csnn1)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine?
The InChIKey is JVPPZNGIOYUXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-8(2)10(14(3)4)6-11-5-9-7-15-13-12-9/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 43664040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).