N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

C12H20N2OS — CID 121446729

IUPACN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C12H20N2OS/c1-6-12(3,4)11(15)14(5)8-10-7-13-9(2)16-10/h7H,6,8H2,1-5H3
InChIKeyZABXNFMLAKXBKB-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.85
Rot. Bonds4

About N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 121446729) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID121446729
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C12H20N2OS/c1-6-12(3,4)11(15)14(5)8-10-7-13-9(2)16-10/h7H,6,8H2,1-5H3
InChIKeyZABXNFMLAKXBKB-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 121446729) is N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is CCC(C)(C)C(=O)N(C)Cc1cnc(C)s1.
What is the InChIKey of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is ZABXNFMLAKXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-6-12(3,4)11(15)14(5)8-10-7-13-9(2)16-10/h7H,6,8H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 121446729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).