(E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide

C15H24N4OS — CID 146100968

IUPAC(E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1CCN(Cc2cscn2)CC1
InChIInChI=1S/C15H24N4OS/c1-18(2)7-3-4-15(20)17-13-5-8-19(9-6-13)10-14-11-21-12-16-14/h3-4,11-13H,5-10H2,1-2H3,(H,17,20)/b4-3+
InChIKeyZBARMINEIAEFRQ-ONEGZZNKSA-N
MW308.45 g/mol
LogP1.34
Rot. Bonds6

About (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide

(E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide (PubChem CID 146100968) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide
PubChem CID146100968
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1CCN(Cc2cscn2)CC1
InChIInChI=1S/C15H24N4OS/c1-18(2)7-3-4-15(20)17-13-5-8-19(9-6-13)10-14-11-21-12-16-14/h3-4,11-13H,5-10H2,1-2H3,(H,17,20)/b4-3+
InChIKeyZBARMINEIAEFRQ-ONEGZZNKSA-N
XLogP1.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide (CID 146100968) is (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide is CN(C)C/C=C/C(=O)NC1CCN(Cc2cscn2)CC1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide?
The InChIKey is ZBARMINEIAEFRQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-18(2)7-3-4-15(20)17-13-5-8-19(9-6-13)10-14-11-21-12-16-14/h3-4,11-13H,5-10H2,1-2H3,(H,17,20)/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide?
(E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide has a molecular weight of 308.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]but-2-enamide is sourced from PubChem (CID 146100968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).