N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C11H16N4OS — CID 66786120

IUPACN-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC/C(N)=C\NC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C11H16N4OS/c1-7(12)5-13-10(16)11-14-8-3-4-15(2)6-9(8)17-11/h5H,3-4,6,12H2,1-2H3,(H,13,16)/b7-5+
InChIKeyVIKVVTRUGPQXBB-FNORWQNLSA-N
MW252.34 g/mol
LogP0.68
Rot. Bonds2

About N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66786120) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID66786120
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC/C(N)=C\NC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C11H16N4OS/c1-7(12)5-13-10(16)11-14-8-3-4-15(2)6-9(8)17-11/h5H,3-4,6,12H2,1-2H3,(H,13,16)/b7-5+
InChIKeyVIKVVTRUGPQXBB-FNORWQNLSA-N
XLogP0.68
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 112708599
CID 112708599
2,2-dimethyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-one
CID 83388806
N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 97352650
ethyl 4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 163583920
N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide
CID 159411293
N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide
CID 154053124
N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 143305515
lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid
CID 173095890
N'-[(1S,2R,4S)-4-(methylcarbamothioyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 150823831
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride
CID 172769528

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66786120) is N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is C/C(N)=C\NC(=O)c1nc2c(s1)CN(C)CC2.
What is the InChIKey of N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is VIKVVTRUGPQXBB-FNORWQNLSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(12)5-13-10(16)11-14-8-3-4-15(2)6-9(8)17-11/h5H,3-4,6,12H2,1-2H3,(H,13,16)/b7-5+.
What are the key properties of N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).