N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C13H21N3O2S — CID 154568714

IUPACN-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3O2S/c1-9-10(11(17)15-13(2,3)4)19-12(14-9)16-5-7-18-8-6-16/h5-8H2,1-4H3,(H,15,17)
InChIKeyOSSXBZFHKQPKPJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.82
Rot. Bonds2

About N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 154568714) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID154568714
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3O2S/c1-9-10(11(17)15-13(2,3)4)19-12(14-9)16-5-7-18-8-6-16/h5-8H2,1-4H3,(H,15,17)
InChIKeyOSSXBZFHKQPKPJ-UHFFFAOYSA-N
XLogP1.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 154568714) is N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OSSXBZFHKQPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-10(11(17)15-13(2,3)4)19-12(14-9)16-5-7-18-8-6-16/h5-8H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154568714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).