methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide

C15H17N3OS — CID 114982762

IUPACmethane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide
SMILESC.CC(C)C(=O)Nc1ccc2c(c1)C(c1cncs1)=N2
InChIInChI=1S/C14H13N3OS.CH4/c1-8(2)14(18)16-9-3-4-11-10(5-9)13(17-11)12-6-15-7-19-12;/h3-8H,1-2H3,(H,16,18);1H4
InChIKeyVKQSYGLKCFLGFD-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.86
Rot. Bonds3

About methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide

methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide (PubChem CID 114982762) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide.

Molecular Properties

Compound Namemethane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide
PubChem CID114982762
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Namemethane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide
SMILESC.CC(C)C(=O)Nc1ccc2c(c1)C(c1cncs1)=N2
InChIInChI=1S/C14H13N3OS.CH4/c1-8(2)14(18)16-9-3-4-11-10(5-9)13(17-11)12-6-15-7-19-12;/h3-8H,1-2H3,(H,16,18);1H4
InChIKeyVKQSYGLKCFLGFD-UHFFFAOYSA-N
XLogP3.86
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide 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

2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 810454
N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 42765930
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167
N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane
CID 91086149
(E)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]-4-(1,3-thiazol-5-yl)anilino]-4-oxobut-2-enoic acid
CID 92856191
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
N-[3-(1,3-thiazol-5-yl)thiophen-2-yl]acetamide
CID 18667979
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide?
The IUPAC name of methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide (CID 114982762) is methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide.
What is the SMILES notation for methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide?
The canonical SMILES for methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide is C.CC(C)C(=O)Nc1ccc2c(c1)C(c1cncs1)=N2.
What is the InChIKey of methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide?
The InChIKey is VKQSYGLKCFLGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.CH4/c1-8(2)14(18)16-9-3-4-11-10(5-9)13(17-11)12-6-15-7-19-12;/h3-8H,1-2H3,(H,16,18);1H4.
What are the key properties of methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide?
methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide has a molecular weight of 287.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide is sourced from PubChem (CID 114982762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).