2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C14H17N3O3S — CID 3808142

IUPAC2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(C(C)N)n2)cc(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-8(15)14-17-12(7-21-14)13(18)16-9-4-10(19-2)6-11(5-9)20-3/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeyKUSQPGOYUSHCKD-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.43
Rot. Bonds5

About 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3808142) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3808142
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(C(C)N)n2)cc(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-8(15)14-17-12(7-21-14)13(18)16-9-4-10(19-2)6-11(5-9)20-3/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeyKUSQPGOYUSHCKD-UHFFFAOYSA-N
XLogP2.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 66374781
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 3808142) is 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(C(C)N)n2)cc(OC)c1.
What is the InChIKey of 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KUSQPGOYUSHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8(15)14-17-12(7-21-14)13(18)16-9-4-10(19-2)6-11(5-9)20-3/h4-8H,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3808142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).