N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide

C10H16N2O2S — CID 80710112

IUPACN-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cscn1
InChIInChI=1S/C10H16N2O2S/c1-8(2)14-5-4-12(3)10(13)9-6-15-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyGWYLOXZDAFFNFP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.64
Rot. Bonds5

About N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide

N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 80710112) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID80710112
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cscn1
InChIInChI=1S/C10H16N2O2S/c1-8(2)14-5-4-12(3)10(13)9-6-15-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyGWYLOXZDAFFNFP-UHFFFAOYSA-N
XLogP1.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide (CID 80710112) is N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide is CC(C)OCCN(C)C(=O)c1cscn1.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GWYLOXZDAFFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)14-5-4-12(3)10(13)9-6-15-7-11-9/h6-8H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide?
N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 80710112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).