2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide

C13H22N2OS — CID 54773859

IUPAC2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)c1csc(CCNC(=O)C(C)(C)C)n1
InChIInChI=1S/C13H22N2OS/c1-9(2)10-8-17-11(15-10)6-7-14-12(16)13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,16)
InChIKeyGRIMGPZPNMSFDW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.97
Rot. Bonds4

About 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 54773859) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID54773859
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)c1csc(CCNC(=O)C(C)(C)C)n1
InChIInChI=1S/C13H22N2OS/c1-9(2)10-8-17-11(15-10)6-7-14-12(16)13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,16)
InChIKeyGRIMGPZPNMSFDW-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide (CID 54773859) is 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide is CC(C)c1csc(CCNC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is GRIMGPZPNMSFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)10-8-17-11(15-10)6-7-14-12(16)13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 54773859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).