4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine

C12H20N2S — CID 79864376

IUPAC4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)CNc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C12H20N2S/c1-8(2)7-13-11-14-10-9(15-11)5-6-12(10,3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyBSHOBEHHTMJYHG-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.43
Rot. Bonds3

About 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine

4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79864376) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
PubChem CID79864376
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)CNc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C12H20N2S/c1-8(2)7-13-11-14-10-9(15-11)5-6-12(10,3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyBSHOBEHHTMJYHG-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.43
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-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (CID 79864376) is 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is CC(C)CNc1nc2c(s1)CCC2(C)C.
What is the InChIKey of 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is BSHOBEHHTMJYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)7-13-11-14-10-9(15-11)5-6-12(10,3)4/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79864376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).