4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine

C11H18N2S — CID 79864196

IUPAC4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C11H18N2S/c1-7(2)12-10-13-9-8(14-10)5-6-11(9,3)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyWFXMPKHULNXXCA-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.19
Rot. Bonds2

About 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine

4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79864196) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
PubChem CID79864196
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C11H18N2S/c1-7(2)12-10-13-9-8(14-10)5-6-11(9,3)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyWFXMPKHULNXXCA-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (CID 79864196) is 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is CC(C)Nc1nc2c(s1)CCC2(C)C.
What is the InChIKey of 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is WFXMPKHULNXXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7(2)12-10-13-9-8(14-10)5-6-11(9,3)4/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79864196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).