N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C13H23F2N3OS — CID 107510734

IUPACN-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC(F)F)sc1CNCC(C)C
InChIInChI=1S/C13H23F2N3OS/c1-9(2)5-16-6-11-10(8-19-4)17-13(20-11)18(3)7-12(14)15/h9,12,16H,5-8H2,1-4H3
InChIKeyNFTJXCJHAHVXOF-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.74
Rot. Bonds9

About N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 107510734) has the molecular formula C13H23F2N3OS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID107510734
Molecular FormulaC13H23F2N3OS
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC NameN-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC(F)F)sc1CNCC(C)C
InChIInChI=1S/C13H23F2N3OS/c1-9(2)5-16-6-11-10(8-19-4)17-13(20-11)18(3)7-12(14)15/h9,12,16H,5-8H2,1-4H3
InChIKeyNFTJXCJHAHVXOF-UHFFFAOYSA-N
XLogP2.74
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 107510734) is N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is COCc1nc(N(C)CC(F)F)sc1CNCC(C)C.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is NFTJXCJHAHVXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3OS/c1-9(2)5-16-6-11-10(8-19-4)17-13(20-11)18(3)7-12(14)15/h9,12,16H,5-8H2,1-4H3.
What are the key properties of N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 307.41 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107510734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).