2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 66390218

IUPAC2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1cccc(NC(=O)c2csc(C(C)N)n2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-7-20-12-6-4-5-11(8-12)17-14(19)13-9-21-15(18-13)10(2)16/h4-6,8-10H,3,7,16H2,1-2H3,(H,17,19)
InChIKeyNGOJIKMIOCEKRZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds6

About 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66390218) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID66390218
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1cccc(NC(=O)c2csc(C(C)N)n2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-7-20-12-6-4-5-11(8-12)17-14(19)13-9-21-15(18-13)10(2)16/h4-6,8-10H,3,7,16H2,1-2H3,(H,17,19)
InChIKeyNGOJIKMIOCEKRZ-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258
2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622391
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
CID 116585880

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide (CID 66390218) is 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide is CCCOc1cccc(NC(=O)c2csc(C(C)N)n2)c1.
What is the InChIKey of 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NGOJIKMIOCEKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-7-20-12-6-4-5-11(8-12)17-14(19)13-9-21-15(18-13)10(2)16/h4-6,8-10H,3,7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).