methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid

C10H9N3O2S — CID 69177329

IUPACmethyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid
SMILESCN(C(=O)O)c1ncc(-c2ccncc2)s1
InChIInChI=1S/C10H9N3O2S/c1-13(10(14)15)9-12-6-8(16-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,14,15)
InChIKeyGZSAEPHGFYNLAV-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.32
Rot. Bonds2

About methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid

methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 69177329) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid
PubChem CID69177329
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Namemethyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid
SMILESCN(C(=O)O)c1ncc(-c2ccncc2)s1
InChIInChI=1S/C10H9N3O2S/c1-13(10(14)15)9-12-6-8(16-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,14,15)
InChIKeyGZSAEPHGFYNLAV-UHFFFAOYSA-N
XLogP2.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
N,N-dimethyl-5-phenyl-1,3-thiazol-2-amine
CID 12532268
methyl(pyridin-4-yl)carbamic acid
CID 54205463
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
CID 83383281
2-ethyl-5-pyridin-4-yl-1,3-thiazole
CID 89469223
1-methyl-1-(5-pyridin-3-yl-1,3-thiazol-2-yl)hydrazine
CID 142305016
1-cyano-N-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 130345303
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
CID 123657226
(2S)-2-ethoxy-3-[4-[2-[heptylcarbamoyl(methyl)amino]-1,3-thiazol-5-yl]phenyl]propanoic acid
CID 67148111
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451754

Frequently Asked Questions

What is the IUPAC name of methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid (CID 69177329) is methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid is CN(C(=O)O)c1ncc(-c2ccncc2)s1.
What is the InChIKey of methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is GZSAEPHGFYNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13(10(14)15)9-12-6-8(16-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,14,15).
What are the key properties of methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid?
methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 235.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 69177329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).