(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide

C10H18N4O2S — CID 89440314

IUPAC(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
SMILESCNC(=O)[C@H](CN(C)C)N(C)C1=NC(=O)SC1
InChIInChI=1S/C10H18N4O2S/c1-11-9(15)7(5-13(2)3)14(4)8-6-17-10(16)12-8/h7H,5-6H2,1-4H3,(H,11,15)/t7-/m0/s1
InChIKeyGILLHFFOHRXZKJ-ZETCQYMHSA-N
MW258.35 g/mol
LogP-0.14
Rot. Bonds4

About (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide

(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide (PubChem CID 89440314) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
PubChem CID89440314
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
SMILESCNC(=O)[C@H](CN(C)C)N(C)C1=NC(=O)SC1
InChIInChI=1S/C10H18N4O2S/c1-11-9(15)7(5-13(2)3)14(4)8-6-17-10(16)12-8/h7H,5-6H2,1-4H3,(H,11,15)/t7-/m0/s1
InChIKeyGILLHFFOHRXZKJ-ZETCQYMHSA-N
XLogP-0.14
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide
CID 89440261
(2R)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
CID 89440422
(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
CID 89440619
(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide
CID 89440672
N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
CID 89440831
3-(dimethylamino)-N,N-dimethyl-N2-(2-oxo-2,5-dihydro-1,3-thiazol-4-yl)-L-alaninamide
CID 136359728
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
CID 61467793
N,N-dimethyl-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 61467829
N,N-dimethyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 61467830
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide
CID 61477992
2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 61478035
N-ethyl-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 61478387

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The IUPAC name of (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide (CID 89440314) is (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The canonical SMILES for (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide is CNC(=O)[C@H](CN(C)C)N(C)C1=NC(=O)SC1.
What is the InChIKey of (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The InChIKey is GILLHFFOHRXZKJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-11-9(15)7(5-13(2)3)14(4)8-6-17-10(16)12-8/h7H,5-6H2,1-4H3,(H,11,15)/t7-/m0/s1.
What are the key properties of (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide has a molecular weight of 258.35 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide is sourced from PubChem (CID 89440314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).