2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C16H15Cl2N3O2S — CID 1290276

IUPAC2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc1C(=O)N(C)C
InChIInChI=1S/C16H15Cl2N3O2S/c1-9-14(15(23)21(2)3)24-16(19-9)20-13(22)7-5-10-4-6-11(17)8-12(10)18/h4-8H,1-3H3,(H,19,20,22)/b7-5+
InChIKeyPFPGFEQXHHXPTR-FNORWQNLSA-N
MW384.29 g/mol
LogP4.11
Rot. Bonds4

About 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 1290276) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID1290276
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc1C(=O)N(C)C
InChIInChI=1S/C16H15Cl2N3O2S/c1-9-14(15(23)21(2)3)24-16(19-9)20-13(22)7-5-10-4-6-11(17)8-12(10)18/h4-8H,1-3H3,(H,19,20,22)/b7-5+
InChIKeyPFPGFEQXHHXPTR-FNORWQNLSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 1290276) is 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is PFPGFEQXHHXPTR-FNORWQNLSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-9-14(15(23)21(2)3)24-16(19-9)20-13(22)7-5-10-4-6-11(17)8-12(10)18/h4-8H,1-3H3,(H,19,20,22)/b7-5+.
What are the key properties of 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 384.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1290276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).