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

C15H26ClN3O2S — CID 120638689

IUPAC2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-10(2)14-11(4-3-7-20-14)8-17-15(19)12-9-21-13(18-12)5-6-16;/h9-11,14H,3-8,16H2,1-2H3,(H,17,19);1H
InChIKeyQHOVQZSPXVMWJF-UHFFFAOYSA-N
MW347.91 g/mol
LogP2.25
Rot. Bonds6

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

2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120638689) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120638689
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-10(2)14-11(4-3-7-20-14)8-17-15(19)12-9-21-13(18-12)5-6-16;/h9-11,14H,3-8,16H2,1-2H3,(H,17,19);1H
InChIKeyQHOVQZSPXVMWJF-UHFFFAOYSA-N
XLogP2.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628
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-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120638689) is 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)C1OCCCC1CNC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is QHOVQZSPXVMWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-10(2)14-11(4-3-7-20-14)8-17-15(19)12-9-21-13(18-12)5-6-16;/h9-11,14H,3-8,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 2.25, 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-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).