2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

C10H19Cl2N3OS — CID 119860322

IUPAC2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCc1nccs1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-8(7-11-2)10(14)13-4-3-9-12-5-6-15-9;;/h5-6,8,11H,3-4,7H2,1-2H3,(H,13,14);2*1H
InChIKeyXICMTFDDZJMFER-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.50
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119860322) has the molecular formula C10H19Cl2N3OS and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119860322
Molecular FormulaC10H19Cl2N3OS
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCc1nccs1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-8(7-11-2)10(14)13-4-3-9-12-5-6-15-9;;/h5-6,8,11H,3-4,7H2,1-2H3,(H,13,14);2*1H
InChIKeyXICMTFDDZJMFER-UHFFFAOYSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988662
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824308
(2S)-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107566965
2-methyl-3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682981
2-carbamothioyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240426
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389
(2S)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63240719
(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95307077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119860322) is 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is CNCC(C)C(=O)NCCc1nccs1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is XICMTFDDZJMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.2ClH/c1-8(7-11-2)10(14)13-4-3-9-12-5-6-15-9;;/h5-6,8,11H,3-4,7H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 300.26 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119860322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).