(E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide

C14H15N3O3S3 — CID 71788242

IUPAC(E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1
InChIInChI=1S/C14H15N3O3S3/c1-23(19,20)17-7-6-11-12(9-17)22-14(15-11)16-13(18)5-4-10-3-2-8-21-10/h2-5,8H,6-7,9H2,1H3,(H,15,16,18)/b5-4+
InChIKeyCTMRQWZFFQLYEC-SNAWJCMRSA-N
MW369.49 g/mol
LogP2.17
Rot. Bonds4

About (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 71788242) has the molecular formula C14H15N3O3S3 and a molecular weight of 369.49 g/mol. Its IUPAC name is (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID71788242
Molecular FormulaC14H15N3O3S3
Molecular Weight369.49 g/mol
Exact Mass369.03
IUPAC Name(E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1
InChIInChI=1S/C14H15N3O3S3/c1-23(19,20)17-7-6-11-12(9-17)22-14(15-11)16-13(18)5-4-10-3-2-8-21-10/h2-5,8H,6-7,9H2,1H3,(H,15,16,18)/b5-4+
InChIKeyCTMRQWZFFQLYEC-SNAWJCMRSA-N
XLogP2.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90530991
3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530911
2-methylsulfanyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530958
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)triazole-4-carboxamide
CID 71788261
1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 71788268
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247
(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
CID 44975887
(E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 1220189
1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90531014
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
CID 90530891
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 90530919
2-(4-chlorophenoxy)-2-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 71788250

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 71788242) is (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide is CS(=O)(=O)N1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1.
What is the InChIKey of (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CTMRQWZFFQLYEC-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H15N3O3S3/c1-23(19,20)17-7-6-11-12(9-17)22-14(15-11)16-13(18)5-4-10-3-2-8-21-10/h2-5,8H,6-7,9H2,1H3,(H,15,16,18)/b5-4+.
What are the key properties of (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 369.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71788242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).