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

C13H22N2S — CID 79863793

IUPACN-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)7-14-8-11-15-12-10(16-11)5-6-13(12,3)4/h9,14H,5-8H2,1-4H3
InChIKeyZBSDCFVMKSRQPR-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.11
Rot. Bonds4

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

N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79863793) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID79863793
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)7-14-8-11-15-12-10(16-11)5-6-13(12,3)4/h9,14H,5-8H2,1-4H3
InChIKeyZBSDCFVMKSRQPR-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine (CID 79863793) is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc2c(s1)CCC2(C)C.
What is the InChIKey of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZBSDCFVMKSRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)7-14-8-11-15-12-10(16-11)5-6-13(12,3)4/h9,14H,5-8H2,1-4H3.
What are the key properties of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79863793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).