N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide

C13H14N4O2S — CID 3698972

IUPACN,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccncc2)sc1C(=O)N(C)C
InChIInChI=1S/C13H14N4O2S/c1-8-10(12(19)17(2)3)20-13(15-8)16-11(18)9-4-6-14-7-5-9/h4-7H,1-3H3,(H,15,16,18)
InChIKeyQBNQNGLPAKQFAT-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.80
Rot. Bonds3

About N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide (PubChem CID 3698972) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
PubChem CID3698972
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccncc2)sc1C(=O)N(C)C
InChIInChI=1S/C13H14N4O2S/c1-8-10(12(19)17(2)3)20-13(15-8)16-11(18)9-4-6-14-7-5-9/h4-7H,1-3H3,(H,15,16,18)
InChIKeyQBNQNGLPAKQFAT-UHFFFAOYSA-N
XLogP1.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide (CID 3698972) is N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccncc2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QBNQNGLPAKQFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-10(12(19)17(2)3)20-13(15-8)16-11(18)9-4-6-14-7-5-9/h4-7H,1-3H3,(H,15,16,18).
What are the key properties of N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3698972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).