N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine

C13H23N3S — CID 107003568

IUPACN-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(C2CC2(C)C)s1
InChIInChI=1S/C13H23N3S/c1-12(2,3)14-7-6-10-15-16-11(17-10)9-8-13(9,4)5/h9,14H,6-8H2,1-5H3
InChIKeySGUMWBFFYHBEQT-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.98
Rot. Bonds4

About N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 107003568) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID107003568
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(C2CC2(C)C)s1
InChIInChI=1S/C13H23N3S/c1-12(2,3)14-7-6-10-15-16-11(17-10)9-8-13(9,4)5/h9,14H,6-8H2,1-5H3
InChIKeySGUMWBFFYHBEQT-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 66478416
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
CID 81326879
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
2-methyl-N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 103213385
2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 102922985
2-(2-chloroethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107185456
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
1-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 107003570
N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80595699
N-[[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 107185554
2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 83135957

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 107003568) is N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nnc(C2CC2(C)C)s1.
What is the InChIKey of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is SGUMWBFFYHBEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-12(2,3)14-7-6-10-15-16-11(17-10)9-8-13(9,4)5/h9,14H,6-8H2,1-5H3.
What are the key properties of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107003568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).