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

C13H22ClN3O3S — CID 120637561

IUPAC2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(COC1CCOC1)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(6-19-10-3-5-18-7-10)15-13(17)11-8-20-12(16-11)2-4-14;/h8-10H,2-7,14H2,1H3,(H,15,17);1H
InChIKeyHBADAPPAUOLXRY-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.99
Rot. Bonds7

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

2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120637561) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120637561
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(COC1CCOC1)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(6-19-10-3-5-18-7-10)15-13(17)11-8-20-12(16-11)2-4-14;/h8-10H,2-7,14H2,1H3,(H,15,17);1H
InChIKeyHBADAPPAUOLXRY-UHFFFAOYSA-N
XLogP0.99
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
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CID 120615972
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628
2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638689
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
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2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
CID 119340273
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120637561) is 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(COC1CCOC1)NC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HBADAPPAUOLXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-9(6-19-10-3-5-18-7-10)15-13(17)11-8-20-12(16-11)2-4-14;/h8-10H,2-7,14H2,1H3,(H,15,17);1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).