N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide

C9H14N2O2S — CID 115610740

IUPACN-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cscn1
InChIInChI=1S/C9H14N2O2S/c1-9(2,5-13-3)11-8(12)7-4-14-6-10-7/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyCIGYLEYOECRMIU-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.30
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 115610740) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID115610740
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cscn1
InChIInChI=1S/C9H14N2O2S/c1-9(2,5-13-3)11-8(12)7-4-14-6-10-7/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyCIGYLEYOECRMIU-UHFFFAOYSA-N
XLogP1.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 115610740) is N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide is COCC(C)(C)NC(=O)c1cscn1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CIGYLEYOECRMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,5-13-3)11-8(12)7-4-14-6-10-7/h4,6H,5H2,1-3H3,(H,11,12).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115610740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).