2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide

C16H21N3O2S — CID 120621264

IUPAC2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C16H21N3O2S/c1-11(2)9-21-14-6-4-3-5-12(14)19-16(20)13-10-22-15(18-13)7-8-17/h3-6,10-11H,7-9,17H2,1-2H3,(H,19,20)
InChIKeyJXLPCBHWQHOARQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120621264) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID120621264
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C16H21N3O2S/c1-11(2)9-21-14-6-4-3-5-12(14)19-16(20)13-10-22-15(18-13)7-8-17/h3-6,10-11H,7-9,17H2,1-2H3,(H,19,20)
InChIKeyJXLPCBHWQHOARQ-UHFFFAOYSA-N
XLogP2.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
N-[2-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55887676
2-(2-aminoethyl)-N-[3-chloro-4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621378
2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617706
2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637855
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
2-(2-aminoethyl)-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120635673

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 120621264) is 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide is CC(C)COc1ccccc1NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JXLPCBHWQHOARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)9-21-14-6-4-3-5-12(14)19-16(20)13-10-22-15(18-13)7-8-17/h3-6,10-11H,7-9,17H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 7 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-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120621264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).