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

C11H18N2OS — CID 79864466

IUPACN-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCOCCNc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C11H18N2OS/c1-11(2)5-4-8-9(11)13-10(15-8)12-6-7-14-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyYSNAWZHGYRRBOI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.43
Rot. Bonds4

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

N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79864466) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
PubChem CID79864466
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
SMILESCOCCNc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C11H18N2OS/c1-11(2)5-4-8-9(11)13-10(15-8)12-6-7-14-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyYSNAWZHGYRRBOI-UHFFFAOYSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)morpholine
CID 122153083
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
CID 128859220
1-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 136548408
1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}-3-[(2R,3R)-2-methyloxolan-3-yl]urea
CID 128859240
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-methoxyethyl)urea
CID 45503685
5-ethyl-N-(2-methoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 62941274
N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 62941454
N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
CID 62942560
N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
CID 63471871
N-(2-methoxyethyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
CID 64415676
4-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 64919659
N,4-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046749

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine (CID 79864466) is N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is COCCNc1nc2c(s1)CCC2(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is YSNAWZHGYRRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2)5-4-8-9(11)13-10(15-8)12-6-7-14-3/h4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine?
N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79864466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).