N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide

C15H20N4O2S — CID 110341948

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2cccnc2)sc1C(=O)NCCN(C)C
InChIInChI=1S/C15H20N4O2S/c1-11-14(15(20)17-7-8-19(2)3)22-13(18-11)10-21-12-5-4-6-16-9-12/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyAIYZNFPVCKPZNQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.72
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110341948) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID110341948
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2cccnc2)sc1C(=O)NCCN(C)C
InChIInChI=1S/C15H20N4O2S/c1-11-14(15(20)17-7-8-19(2)3)22-13(18-11)10-21-12-5-4-6-16-9-12/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyAIYZNFPVCKPZNQ-UHFFFAOYSA-N
XLogP1.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110342039
methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 110342034
ethyl 4-[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 110341987
4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935734
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1,3-thiazole-5-carboxamide
CID 55720156
2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide
CID 110341826

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide (CID 110341948) is N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2cccnc2)sc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AIYZNFPVCKPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-14(15(20)17-7-8-19(2)3)22-13(18-11)10-21-12-5-4-6-16-9-12/h4-6,9H,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110341948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).