N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide

C8H7N3O2S — CID 154355633

IUPACN-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cocn1)c1cncs1
InChIInChI=1S/C8H7N3O2S/c12-8(7-2-9-5-14-7)10-1-6-3-13-4-11-6/h2-5H,1H2,(H,10,12)
InChIKeyYQMHTXZFWRUBJJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.06
Rot. Bonds3

About N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide

N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 154355633) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID154355633
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC NameN-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cocn1)c1cncs1
InChIInChI=1S/C8H7N3O2S/c12-8(7-2-9-5-14-7)10-1-6-3-13-4-11-6/h2-5H,1H2,(H,10,12)
InChIKeyYQMHTXZFWRUBJJ-UHFFFAOYSA-N
XLogP1.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 110850665
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303
N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103931770
4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114030962
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91833520
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 141197607
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 154355633) is N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1cocn1)c1cncs1.
What is the InChIKey of N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YQMHTXZFWRUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-8(7-2-9-5-14-7)10-1-6-3-13-4-11-6/h2-5H,1H2,(H,10,12).
What are the key properties of N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 209.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154355633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).