N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide

C12H18N2O2S — CID 42957212

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide
SMILESCc1csc(CNC(=O)CCC2CCCO2)n1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-12(14-9)7-13-11(15)5-4-10-3-2-6-16-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyDDOUVKJJUHISTO-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.03
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 42957212) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide
PubChem CID42957212
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide
SMILESCc1csc(CNC(=O)CCC2CCCO2)n1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-12(14-9)7-13-11(15)5-4-10-3-2-6-16-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyDDOUVKJJUHISTO-UHFFFAOYSA-N
XLogP2.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide (CID 42957212) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide is Cc1csc(CNC(=O)CCC2CCCO2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is DDOUVKJJUHISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-8-17-12(14-9)7-13-11(15)5-4-10-3-2-6-16-10/h8,10H,2-7H2,1H3,(H,13,15).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 254.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 42957212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).