N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide

C12H19N3O2S — CID 47398670

IUPACN-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H19N3O2S/c1-8(16)13-5-6-14-10(17)9-7-15-11(18-9)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyRSBLQKQMNNUCQB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.31
Rot. Bonds4

About N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide

N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 47398670) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
PubChem CID47398670
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H19N3O2S/c1-8(16)13-5-6-14-10(17)9-7-15-11(18-9)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyRSBLQKQMNNUCQB-UHFFFAOYSA-N
XLogP1.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide (CID 47398670) is N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide is CC(=O)NCCNC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is RSBLQKQMNNUCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(16)13-5-6-14-10(17)9-7-15-11(18-9)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).