4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide

C14H21N3O3S — CID 49417003

IUPAC4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCOC(C(N)=O)C1
InChIInChI=1S/C14H21N3O3S/c1-8-10(21-13(16-8)14(2,3)4)12(19)17-5-6-20-9(7-17)11(15)18/h9H,5-7H2,1-4H3,(H2,15,18)
InChIKeyFUEUCBRPQMGXKM-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.08
Rot. Bonds2

About 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide

4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide (PubChem CID 49417003) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide
PubChem CID49417003
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCOC(C(N)=O)C1
InChIInChI=1S/C14H21N3O3S/c1-8-10(21-13(16-8)14(2,3)4)12(19)17-5-6-20-9(7-17)11(15)18/h9H,5-7H2,1-4H3,(H2,15,18)
InChIKeyFUEUCBRPQMGXKM-UHFFFAOYSA-N
XLogP1.08
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide (CID 49417003) is 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)N1CCOC(C(N)=O)C1.
What is the InChIKey of 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is FUEUCBRPQMGXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-10(21-13(16-8)14(2,3)4)12(19)17-5-6-20-9(7-17)11(15)18/h9H,5-7H2,1-4H3,(H2,15,18).
What are the key properties of 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide?
4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 49417003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).