N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C14H22N4O2S — CID 166302978

IUPACN-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCSCC[C@H](NC(=O)c1cnc2n1CCC(C)C2)C(N)=O
InChIInChI=1S/C14H22N4O2S/c1-9-3-5-18-11(8-16-12(18)7-9)14(20)17-10(13(15)19)4-6-21-2/h8-10H,3-7H2,1-2H3,(H2,15,19)(H,17,20)/t9?,10-/m0/s1
InChIKeyIXDUEHVEOBJRON-AXDSSHIGSA-N
MW310.42 g/mol
LogP0.80
Rot. Bonds6

About N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166302978) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID166302978
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCSCC[C@H](NC(=O)c1cnc2n1CCC(C)C2)C(N)=O
InChIInChI=1S/C14H22N4O2S/c1-9-3-5-18-11(8-16-12(18)7-9)14(20)17-10(13(15)19)4-6-21-2/h8-10H,3-7H2,1-2H3,(H2,15,19)(H,17,20)/t9?,10-/m0/s1
InChIKeyIXDUEHVEOBJRON-AXDSSHIGSA-N
XLogP0.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

(2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)butanoic acid
CID 154868429
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166246851
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
(2R)-4-methylsulfanyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 104906531
(2S)-4-methylsulfanyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 61153605
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 71087872
2-bromo-N-[1-(3-methylpiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 43001719
(2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-1-[(2S)-2-(ethanethioylamino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 102454165
N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-1-[3-(4-hydroxyphenyl)-2-[(2-sulfanylacetyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 21158882
(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide
CID 155953207
N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 42949423
2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide
CID 60599449

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 166302978) is N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CSCC[C@H](NC(=O)c1cnc2n1CCC(C)C2)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IXDUEHVEOBJRON-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-3-5-18-11(8-16-12(18)7-9)14(20)17-10(13(15)19)4-6-21-2/h8-10H,3-7H2,1-2H3,(H2,15,19)(H,17,20)/t9?,10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 166302978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).