2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide

C14H22N2O2S — CID 99813012

IUPAC2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)s1
InChIInChI=1S/C14H22N2O2S/c1-6-11-15-8-9(19-11)12(17)16-10-7-14(4,18-5)13(10,2)3/h8,10H,6-7H2,1-5H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyDMCZNCBRWOXURK-QMTHXVAHSA-N
MW282.41 g/mol
LogP2.64
Rot. Bonds4

About 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 99813012) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID99813012
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)s1
InChIInChI=1S/C14H22N2O2S/c1-6-11-15-8-9(19-11)12(17)16-10-7-14(4,18-5)13(10,2)3/h8,10H,6-7H2,1-5H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyDMCZNCBRWOXURK-QMTHXVAHSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide (CID 99813012) is 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)s1.
What is the InChIKey of 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DMCZNCBRWOXURK-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-6-11-15-8-9(19-11)12(17)16-10-7-14(4,18-5)13(10,2)3/h8,10H,6-7H2,1-5H3,(H,16,17)/t10-,14-/m1/s1.
What are the key properties of 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).