N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C13H22N2OS — CID 97316377

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-7-10-14-8(2)11(17-10)12(16)15-9(3)13(4,5)6/h9H,7H2,1-6H3,(H,15,16)/t9-/m0/s1
InChIKeyRAUPFGZLXFROSN-VIFPVBQESA-N
MW254.40 g/mol
LogP3.18
Rot. Bonds3

About N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 97316377) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID97316377
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-7-10-14-8(2)11(17-10)12(16)15-9(3)13(4,5)6/h9H,7H2,1-6H3,(H,15,16)/t9-/m0/s1
InChIKeyRAUPFGZLXFROSN-VIFPVBQESA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 97316377) is N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)s1.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RAUPFGZLXFROSN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2OS/c1-7-10-14-8(2)11(17-10)12(16)15-9(3)13(4,5)6/h9H,7H2,1-6H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97316377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).