N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

C9H17N3OS — CID 61467830

IUPACN,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C9H17N3OS/c1-6-5-14-9(10-6)11-7(2)8(13)12(3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyRTHKYQGTYXHWPX-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.54
Rot. Bonds2

About N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 61467830) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID61467830
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C9H17N3OS/c1-6-5-14-9(10-6)11-7(2)8(13)12(3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyRTHKYQGTYXHWPX-UHFFFAOYSA-N
XLogP0.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 61467830) is N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CC1CSC(NC(C)C(=O)N(C)C)=N1.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is RTHKYQGTYXHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-6-5-14-9(10-6)11-7(2)8(13)12(3)4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 215.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 61467830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).