2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide

C17H23N3O3S — CID 119679447

IUPAC2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2csc(CN)n2)cc1OCCC
InChIInChI=1S/C17H23N3O3S/c1-3-7-22-14-6-5-12(9-15(14)23-8-4-2)19-17(21)13-11-24-16(10-18)20-13/h5-6,9,11H,3-4,7-8,10,18H2,1-2H3,(H,19,21)
InChIKeyUTAIKTYTDNNTST-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.43
Rot. Bonds9

About 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119679447) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119679447
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2csc(CN)n2)cc1OCCC
InChIInChI=1S/C17H23N3O3S/c1-3-7-22-14-6-5-12(9-15(14)23-8-4-2)19-17(21)13-11-24-16(10-18)20-13/h5-6,9,11H,3-4,7-8,10,18H2,1-2H3,(H,19,21)
InChIKeyUTAIKTYTDNNTST-UHFFFAOYSA-N
XLogP3.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119889603
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
2-(aminomethyl)-N-(3-bromo-4-iodophenyl)-1,3-thiazole-4-carboxamide
CID 113266598

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide (CID 119679447) is 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide is CCCOc1ccc(NC(=O)c2csc(CN)n2)cc1OCCC.
What is the InChIKey of 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UTAIKTYTDNNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-7-22-14-6-5-12(9-15(14)23-8-4-2)19-17(21)13-11-24-16(10-18)20-13/h5-6,9,11H,3-4,7-8,10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119679447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).