2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide

C12H14N4O2S — CID 82194265

IUPAC2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
SMILESNc1nc2c(s1)CN(CC(=O)NCc1ccco1)C2
InChIInChI=1S/C12H14N4O2S/c13-12-15-9-5-16(6-10(9)19-12)7-11(17)14-4-8-2-1-3-18-8/h1-3H,4-7H2,(H2,13,15)(H,14,17)
InChIKeyQQNLHSVXZXBCFL-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.95
Rot. Bonds4

About 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide

2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 82194265) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID82194265
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
SMILESNc1nc2c(s1)CN(CC(=O)NCc1ccco1)C2
InChIInChI=1S/C12H14N4O2S/c13-12-15-9-5-16(6-10(9)19-12)7-11(17)14-4-8-2-1-3-18-8/h1-3H,4-7H2,(H2,13,15)(H,14,17)
InChIKeyQQNLHSVXZXBCFL-UHFFFAOYSA-N
XLogP0.95
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525745
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]acetamide
CID 71793804
2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30862561
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide (CID 82194265) is 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide is Nc1nc2c(s1)CN(CC(=O)NCc1ccco1)C2.
What is the InChIKey of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QQNLHSVXZXBCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-12-15-9-5-16(6-10(9)19-12)7-11(17)14-4-8-2-1-3-18-8/h1-3H,4-7H2,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide?
2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 82194265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).