N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

C9H9N3O2S — CID 130899202

IUPACN-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cscn2)o1
InChIInChI=1S/C9H9N3O2S/c1-6-10-2-7(14-6)3-11-9(13)8-4-15-5-12-8/h2,4-5H,3H2,1H3,(H,11,13)
InChIKeyJYWQFAYWFOKVOY-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.37
Rot. Bonds3

About N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 130899202) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID130899202
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cscn2)o1
InChIInChI=1S/C9H9N3O2S/c1-6-10-2-7(14-6)3-11-9(13)8-4-15-5-12-8/h2,4-5H,3H2,1H3,(H,11,13)
InChIKeyJYWQFAYWFOKVOY-UHFFFAOYSA-N
XLogP1.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 130987233
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138036074
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110482303
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55218411
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (CID 130899202) is N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ncc(CNC(=O)c2cscn2)o1.
What is the InChIKey of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JYWQFAYWFOKVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6-10-2-7(14-6)3-11-9(13)8-4-15-5-12-8/h2,4-5H,3H2,1H3,(H,11,13).
What are the key properties of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130899202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).