N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C14H28N4OS — CID 115505764

IUPACN-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(OCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C14H28N4OS/c1-10(2)15-9-13-16-17-14(20-13)19-8-7-18(11(3)4)12(5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyKCJBEETUFHSOAX-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.53
Rot. Bonds9

About N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 115505764) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID115505764
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC NameN-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(OCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C14H28N4OS/c1-10(2)15-9-13-16-17-14(20-13)19-8-7-18(11(3)4)12(5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyKCJBEETUFHSOAX-UHFFFAOYSA-N
XLogP2.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 115505764) is N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(OCCN(C(C)C)C(C)C)s1.
What is the InChIKey of N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is KCJBEETUFHSOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-10(2)15-9-13-16-17-14(20-13)19-8-7-18(11(3)4)12(5)6/h10-12,15H,7-9H2,1-6H3.
What are the key properties of N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 115505764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).