N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide

C16H20N4O2S — CID 46980717

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide
SMILESCc1nc(NC(=O)CCC(=O)NC(C)c2ccccn2)sc1C
InChIInChI=1S/C16H20N4O2S/c1-10-12(3)23-16(19-10)20-15(22)8-7-14(21)18-11(2)13-6-4-5-9-17-13/h4-6,9,11H,7-8H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyASYGLXFDFGVHTL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.75
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide (PubChem CID 46980717) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide
PubChem CID46980717
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide
SMILESCc1nc(NC(=O)CCC(=O)NC(C)c2ccccn2)sc1C
InChIInChI=1S/C16H20N4O2S/c1-10-12(3)23-16(19-10)20-15(22)8-7-14(21)18-11(2)13-6-4-5-9-17-13/h4-6,9,11H,7-8H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyASYGLXFDFGVHTL-UHFFFAOYSA-N
XLogP2.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 35943267
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide (CID 46980717) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide is Cc1nc(NC(=O)CCC(=O)NC(C)c2ccccn2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide?
The InChIKey is ASYGLXFDFGVHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-12(3)23-16(19-10)20-15(22)8-7-14(21)18-11(2)13-6-4-5-9-17-13/h4-6,9,11H,7-8H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide has a molecular weight of 332.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide is sourced from PubChem (CID 46980717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).