2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile

C14H17N3OS — CID 47395660

IUPAC2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
SMILESCc1ccc(-c2nc(CN(C)CC(C)C#N)cs2)o1
InChIInChI=1S/C14H17N3OS/c1-10(6-15)7-17(3)8-12-9-19-14(16-12)13-5-4-11(2)18-13/h4-5,9-10H,7-8H2,1-3H3
InChIKeyRMBILKPPHKVTHG-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile

2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile (PubChem CID 47395660) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
PubChem CID47395660
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
SMILESCc1ccc(-c2nc(CN(C)CC(C)C#N)cs2)o1
InChIInChI=1S/C14H17N3OS/c1-10(6-15)7-17(3)8-12-9-19-14(16-12)13-5-4-11(2)18-13/h4-5,9-10H,7-8H2,1-3H3
InChIKeyRMBILKPPHKVTHG-UHFFFAOYSA-N
XLogP3.30
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol
CID 52537591
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 51114822
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089095
N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 86929464
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile
CID 51097185
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 86929371
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile
CID 47395218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile (CID 47395660) is 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile is Cc1ccc(-c2nc(CN(C)CC(C)C#N)cs2)o1.
What is the InChIKey of 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile?
The InChIKey is RMBILKPPHKVTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(6-15)7-17(3)8-12-9-19-14(16-12)13-5-4-11(2)18-13/h4-5,9-10H,7-8H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile?
2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile has a molecular weight of 275.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 47395660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).