3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide

C12H23N3OS — CID 106097575

IUPAC3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide
SMILESCCC1(CC)CSC(NC(C)(C)CC(N)=O)=N1
InChIInChI=1S/C12H23N3OS/c1-5-12(6-2)8-17-10(15-12)14-11(3,4)7-9(13)16/h5-8H2,1-4H3,(H2,13,16)(H,14,15)
InChIKeyABPASYUWTIKLJB-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.89
Rot. Bonds5

About 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide

3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide (PubChem CID 106097575) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide
PubChem CID106097575
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide
SMILESCCC1(CC)CSC(NC(C)(C)CC(N)=O)=N1
InChIInChI=1S/C12H23N3OS/c1-5-12(6-2)8-17-10(15-12)14-11(3,4)7-9(13)16/h5-8H2,1-4H3,(H2,13,16)(H,14,15)
InChIKeyABPASYUWTIKLJB-UHFFFAOYSA-N
XLogP1.89
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide (CID 106097575) is 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide is CCC1(CC)CSC(NC(C)(C)CC(N)=O)=N1.
What is the InChIKey of 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The InChIKey is ABPASYUWTIKLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-12(6-2)8-17-10(15-12)14-11(3,4)7-9(13)16/h5-8H2,1-4H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide has a molecular weight of 257.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).