2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C16H27N3O2S — CID 47721868

IUPAC2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC1CN(CCNC(=O)c2cnc(C(C)(C)C)s2)CC(C)O1
InChIInChI=1S/C16H27N3O2S/c1-11-9-19(10-12(2)21-11)7-6-17-14(20)13-8-18-15(22-13)16(3,4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,17,20)
InChIKeyQDVULIYYYZFVHB-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.28
Rot. Bonds4

About 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47721868) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47721868
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC1CN(CCNC(=O)c2cnc(C(C)(C)C)s2)CC(C)O1
InChIInChI=1S/C16H27N3O2S/c1-11-9-19(10-12(2)21-11)7-6-17-14(20)13-8-18-15(22-13)16(3,4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,17,20)
InChIKeyQDVULIYYYZFVHB-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 47721868) is 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CC1CN(CCNC(=O)c2cnc(C(C)(C)C)s2)CC(C)O1.
What is the InChIKey of 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QDVULIYYYZFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-11-9-19(10-12(2)21-11)7-6-17-14(20)13-8-18-15(22-13)16(3,4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,17,20).
What are the key properties of 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47721868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).