4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine

C12H20N2S — CID 171734043

IUPAC4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)C1(C(C)C)CCc2sc(N)nc21
InChIInChI=1S/C12H20N2S/c1-7(2)12(8(3)4)6-5-9-10(12)14-11(13)15-9/h7-8H,5-6H2,1-4H3,(H2,13,14)
InChIKeyOHSWKYFENAVOCR-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.22
Rot. Bonds2

About 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine

4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (PubChem CID 171734043) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
PubChem CID171734043
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)C1(C(C)C)CCc2sc(N)nc21
InChIInChI=1S/C12H20N2S/c1-7(2)12(8(3)4)6-5-9-10(12)14-11(13)15-9/h7-8H,5-6H2,1-4H3,(H2,13,14)
InChIKeyOHSWKYFENAVOCR-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (CID 171734043) is 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is CC(C)C1(C(C)C)CCc2sc(N)nc21.
What is the InChIKey of 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is OHSWKYFENAVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-7(2)12(8(3)4)6-5-9-10(12)14-11(13)15-9/h7-8H,5-6H2,1-4H3,(H2,13,14).
What are the key properties of 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 171734043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).