2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide

C15H18ClN3O2S — CID 120636237

IUPAC2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CCN)n1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-10(21-12-4-2-11(16)3-5-12)8-18-15(20)13-9-22-14(19-13)6-7-17/h2-5,9-10H,6-8,17H2,1H3,(H,18,20)
InChIKeyWIYCVOBRRLDQCP-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.49
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120636237) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
PubChem CID120636237
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CCN)n1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-10(21-12-4-2-11(16)3-5-12)8-18-15(20)13-9-22-14(19-13)6-7-17/h2-5,9-10H,6-8,17H2,1H3,(H,18,20)
InChIKeyWIYCVOBRRLDQCP-UHFFFAOYSA-N
XLogP2.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636229
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81073673
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120622071
2-(aminomethyl)-N-[2-(4-chlorophenyl)-2-methoxyethyl]-1,3-thiazole-4-carboxamide
CID 119803141
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
2-(2-aminoethyl)-N-[2-(dimethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 66388743
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621811

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide (CID 120636237) is 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide is CC(CNC(=O)c1csc(CCN)n1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WIYCVOBRRLDQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10(21-12-4-2-11(16)3-5-12)8-18-15(20)13-9-22-14(19-13)6-7-17/h2-5,9-10H,6-8,17H2,1H3,(H,18,20).
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 339.85 g/mol, XLogP of 2.49, 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-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120636237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).