2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide

C12H20N2O2S — CID 77092759

IUPAC2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCOC(C)C)c(C)s1
InChIInChI=1S/C12H20N2O2S/c1-8(2)16-7-5-6-13-12(15)11-9(3)17-10(4)14-11/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyGYLAAKUOPWSWCP-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.30
Rot. Bonds6

About 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 77092759) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID77092759
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCOC(C)C)c(C)s1
InChIInChI=1S/C12H20N2O2S/c1-8(2)16-7-5-6-13-12(15)11-9(3)17-10(4)14-11/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyGYLAAKUOPWSWCP-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide (CID 77092759) is 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCOC(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GYLAAKUOPWSWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)16-7-5-6-13-12(15)11-9(3)17-10(4)14-11/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77092759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).