N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide

C14H15N3OS2 — CID 82194128

IUPACN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2nc3c(s2)CNC3)cc1
InChIInChI=1S/C14H15N3OS2/c1-9-2-4-10(5-3-9)19-8-13(18)17-14-16-11-6-15-7-12(11)20-14/h2-5,15H,6-8H2,1H3,(H,16,17,18)
InChIKeyKECZBEQTBFEDHX-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.79
Rot. Bonds4

About N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 82194128) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID82194128
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2nc3c(s2)CNC3)cc1
InChIInChI=1S/C14H15N3OS2/c1-9-2-4-10(5-3-9)19-8-13(18)17-14-16-11-6-15-7-12(11)20-14/h2-5,15H,6-8H2,1H3,(H,16,17,18)
InChIKeyKECZBEQTBFEDHX-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254526
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
CID 82194095
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254584
2-(4-methoxyphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 41320506
3-(4-methylphenyl)sulfanyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7254576
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7544939
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254503
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151826
3-(4-methylphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 44976370
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 649211
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide (CID 82194128) is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2nc3c(s2)CNC3)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is KECZBEQTBFEDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9-2-4-10(5-3-9)19-8-13(18)17-14-16-11-6-15-7-12(11)20-14/h2-5,15H,6-8H2,1H3,(H,16,17,18).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 305.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 82194128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).