4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C14H15ClN4O2S — CID 123366475

IUPAC4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCON=CC(C)(C)NC(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H15ClN4O2S/c1-14(2,8-17-21-3)19-12(20)10-11(15)18-13(22-10)9-5-4-6-16-7-9/h4-8H,1-3H3,(H,19,20)
InChIKeyBSXYBNXPXAGSAM-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.00
Rot. Bonds5

About 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 123366475) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID123366475
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCON=CC(C)(C)NC(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H15ClN4O2S/c1-14(2,8-17-21-3)19-12(20)10-11(15)18-13(22-10)9-5-4-6-16-7-9/h4-8H,1-3H3,(H,19,20)
InChIKeyBSXYBNXPXAGSAM-UHFFFAOYSA-N
XLogP3.00
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
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CID 123774821
N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 123366475) is 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CON=CC(C)(C)NC(=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BSXYBNXPXAGSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-14(2,8-17-21-3)19-12(20)10-11(15)18-13(22-10)9-5-4-6-16-7-9/h4-8H,1-3H3,(H,19,20).
What are the key properties of 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123366475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).