3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide

C11H15N3OS — CID 43593365

IUPAC3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide
SMILESCC(C)=CC(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C11H15N3OS/c1-7(2)5-10(15)14-11-13-8-3-4-12-6-9(8)16-11/h5,12H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyJCSQZDXQAZEIOJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.69
Rot. Bonds2

About 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide

3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide (PubChem CID 43593365) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide
PubChem CID43593365
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide
SMILESCC(C)=CC(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C11H15N3OS/c1-7(2)5-10(15)14-11-13-8-3-4-12-6-9(8)16-11/h5,12H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyJCSQZDXQAZEIOJ-UHFFFAOYSA-N
XLogP1.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593383
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 63105367
(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
CID 43593285
1-cyclopropyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 62700616
3-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 62590605
2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 65199010
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
CID 102922199
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 43593340
4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pentanamide
CID 113382192
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiadiazole-5-carboxamide
CID 43593229
2,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
CID 66128632
1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 107653982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide?
The IUPAC name of 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide (CID 43593365) is 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide is CC(C)=CC(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide?
The InChIKey is JCSQZDXQAZEIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(2)5-10(15)14-11-13-8-3-4-12-6-9(8)16-11/h5,12H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide?
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide has a molecular weight of 237.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide is sourced from PubChem (CID 43593365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).