(2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile

C16H21N7S — CID 24886325

IUPAC(2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile
SMILESCNc1nc(/C(C#N)=C2/NC(C)=CS2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H21N7S/c1-10-4-6-23(7-5-10)16-21-13(20-15(18-3)22-16)12(8-17)14-19-11(2)9-24-14/h9-10,19H,4-7H2,1-3H3,(H,18,20,21,22)/b14-12-
InChIKeyOJVBCWPYOJTCNV-OWBHPGMISA-N
MW343.46 g/mol
LogP2.54
Rot. Bonds3

About (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile

(2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile (PubChem CID 24886325) has the molecular formula C16H21N7S and a molecular weight of 343.46 g/mol. Its IUPAC name is (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile
PubChem CID24886325
Molecular FormulaC16H21N7S
Molecular Weight343.46 g/mol
Exact Mass343.16
IUPAC Name(2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile
SMILESCNc1nc(/C(C#N)=C2/NC(C)=CS2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H21N7S/c1-10-4-6-23(7-5-10)16-21-13(20-15(18-3)22-16)12(8-17)14-19-11(2)9-24-14/h9-10,19H,4-7H2,1-3H3,(H,18,20,21,22)/b14-12-
InChIKeyOJVBCWPYOJTCNV-OWBHPGMISA-N
XLogP2.54
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile?
The IUPAC name of (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile (CID 24886325) is (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile.
What is the SMILES notation for (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile?
The canonical SMILES for (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile is CNc1nc(/C(C#N)=C2/NC(C)=CS2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile?
The InChIKey is OJVBCWPYOJTCNV-OWBHPGMISA-N. The full InChI is InChI=1S/C16H21N7S/c1-10-4-6-23(7-5-10)16-21-13(20-15(18-3)22-16)12(8-17)14-19-11(2)9-24-14/h9-10,19H,4-7H2,1-3H3,(H,18,20,21,22)/b14-12-.
What are the key properties of (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile?
(2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile has a molecular weight of 343.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[4-(methylamino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)acetonitrile is sourced from PubChem (CID 24886325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).