2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C22H18N4OS — CID 2738485

IUPAC2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccccc2)n1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C22H18N4OS/c27-22(20-16-28-21(25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2
InChIKeySBCMIYBIOAPBLD-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.44
Rot. Bonds6

About 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 2738485) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID2738485
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccccc2)n1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C22H18N4OS/c27-22(20-16-28-21(25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2
InChIKeySBCMIYBIOAPBLD-UHFFFAOYSA-N
XLogP4.44
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 2738485) is 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccccc2)n1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SBCMIYBIOAPBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-22(20-16-28-21(25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2.
What are the key properties of 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2738485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).