4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile

C19H19N3OS — CID 86869612

IUPAC4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile
SMILESCC(C)N(Cc1ccc(C#N)cc1)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C19H19N3OS/c1-14(2)22(11-16-7-5-15(10-20)6-8-16)12-17-13-24-19(21-17)18-4-3-9-23-18/h3-9,13-14H,11-12H2,1-2H3
InChIKeySKFJDAHSGADVRK-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.69
Rot. Bonds6

About 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile

4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile (PubChem CID 86869612) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile
PubChem CID86869612
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile
SMILESCC(C)N(Cc1ccc(C#N)cc1)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C19H19N3OS/c1-14(2)22(11-16-7-5-15(10-20)6-8-16)12-17-13-24-19(21-17)18-4-3-9-23-18/h3-9,13-14H,11-12H2,1-2H3
InChIKeySKFJDAHSGADVRK-UHFFFAOYSA-N
XLogP4.69
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 134033862
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
CID 66243923
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86926139
1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
CID 78964237
2-[[(4-cyanophenyl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 86866924

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile?
The IUPAC name of 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile (CID 86869612) is 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile is CC(C)N(Cc1ccc(C#N)cc1)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile?
The InChIKey is SKFJDAHSGADVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(2)22(11-16-7-5-15(10-20)6-8-16)12-17-13-24-19(21-17)18-4-3-9-23-18/h3-9,13-14H,11-12H2,1-2H3.
What are the key properties of 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile?
4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile has a molecular weight of 337.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile is sourced from PubChem (CID 86869612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).