4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide

C14H19N5O3S — CID 166988395

IUPAC4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC(C)Cc1ncc(C(=O)NC(C)C)s1
InChIInChI=1S/C14H19N5O3S/c1-7(2)16-13(20)10-6-15-11(23-10)5-8(3)17-14(21)12-9(4)18-22-19-12/h6-8H,5H2,1-4H3,(H,16,20)(H,17,21)
InChIKeyXSFYYOQIEZAZQR-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.33
Rot. Bonds6

About 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166988395) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID166988395
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC(C)Cc1ncc(C(=O)NC(C)C)s1
InChIInChI=1S/C14H19N5O3S/c1-7(2)16-13(20)10-6-15-11(23-10)5-8(3)17-14(21)12-9(4)18-22-19-12/h6-8H,5H2,1-4H3,(H,16,20)(H,17,21)
InChIKeyXSFYYOQIEZAZQR-UHFFFAOYSA-N
XLogP1.33
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 130637404
ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 114267531
methyl 3-[[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]amino]butanoate
CID 56823982
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422835
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423832
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 131134612

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide (CID 166988395) is 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC(C)Cc1ncc(C(=O)NC(C)C)s1.
What is the InChIKey of 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is XSFYYOQIEZAZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-7(2)16-13(20)10-6-15-11(23-10)5-8(3)17-14(21)12-9(4)18-22-19-12/h6-8H,5H2,1-4H3,(H,16,20)(H,17,21).
What are the key properties of 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166988395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).