N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H23N3O3S — CID 31715854

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-10-9-21-13(20)17(10)7-5-6-11(18)15-8-12(19)16-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyLUESRODQAPPGLV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.03
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 31715854) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID31715854
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-10-9-21-13(20)17(10)7-5-6-11(18)15-8-12(19)16-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyLUESRODQAPPGLV-UHFFFAOYSA-N
XLogP1.03
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 31715854) is N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is LUESRODQAPPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-9-21-13(20)17(10)7-5-6-11(18)15-8-12(19)16-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 313.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 31715854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).