2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide

C14H23N3O2S — CID 120638628

IUPAC2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C1OCCC1CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C14H23N3O2S/c1-9(2)13-10(4-6-19-13)7-16-14(18)11-8-20-12(17-11)3-5-15/h8-10,13H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyXEFOOLQWDFQSNJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.44
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120638628) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120638628
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C1OCCC1CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C14H23N3O2S/c1-9(2)13-10(4-6-19-13)7-16-14(18)11-8-20-12(17-11)3-5-15/h8-10,13H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyXEFOOLQWDFQSNJ-UHFFFAOYSA-N
XLogP1.44
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638689
2-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119819583
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637561
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 120638628) is 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide is CC(C)C1OCCC1CNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XEFOOLQWDFQSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)13-10(4-6-19-13)7-16-14(18)11-8-20-12(17-11)3-5-15/h8-10,13H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120638628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).