2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide

C16H27N3O2S — CID 120638636

IUPAC2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide
SMILESCCCCOC1CC(NC(=O)c2csc(CCN)n2)C1(C)C
InChIInChI=1S/C16H27N3O2S/c1-4-5-8-21-13-9-12(16(13,2)3)19-15(20)11-10-22-14(18-11)6-7-17/h10,12-13H,4-9,17H2,1-3H3,(H,19,20)
InChIKeyZIVJIGRFNLNYTQ-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.36
Rot. Bonds8

About 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide (PubChem CID 120638636) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide
PubChem CID120638636
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide
SMILESCCCCOC1CC(NC(=O)c2csc(CCN)n2)C1(C)C
InChIInChI=1S/C16H27N3O2S/c1-4-5-8-21-13-9-12(16(13,2)3)19-15(20)11-10-22-14(18-11)6-7-17/h10,12-13H,4-9,17H2,1-3H3,(H,19,20)
InChIKeyZIVJIGRFNLNYTQ-UHFFFAOYSA-N
XLogP2.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638709
2-(2-aminoethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638436
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120638873
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(1-cyclobutylpentyl)-1,3-thiazole-4-carboxamide
CID 120633626
(2S)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 107147041
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 66389123

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide (CID 120638636) is 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide is CCCCOC1CC(NC(=O)c2csc(CCN)n2)C1(C)C.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZIVJIGRFNLNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-5-8-21-13-9-12(16(13,2)3)19-15(20)11-10-22-14(18-11)6-7-17/h10,12-13H,4-9,17H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120638636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).