2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C16H15N7OS — CID 47047887

IUPAC2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCCc3nnc4ccccn34)cs2)cn1
InChIInChI=1S/C16H15N7OS/c1-22-9-11(8-18-22)16-19-12(10-25-16)15(24)17-6-5-14-21-20-13-4-2-3-7-23(13)14/h2-4,7-10H,5-6H2,1H3,(H,17,24)
InChIKeyXALVDPKFPZVPOF-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.56
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 47047887) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID47047887
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCCc3nnc4ccccn34)cs2)cn1
InChIInChI=1S/C16H15N7OS/c1-22-9-11(8-18-22)16-19-12(10-25-16)15(24)17-6-5-14-21-20-13-4-2-3-7-23(13)14/h2-4,7-10H,5-6H2,1H3,(H,17,24)
InChIKeyXALVDPKFPZVPOF-UHFFFAOYSA-N
XLogP1.56
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-pyrimidin-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 87008786
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
2-propyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,3-thiazole-4-carboxamide
CID 118782263
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 78813569
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56578206
5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
CID 103803871
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole
CID 154747726
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 47047887) is 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCCc3nnc4ccccn34)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XALVDPKFPZVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-22-9-11(8-18-22)16-19-12(10-25-16)15(24)17-6-5-14-21-20-13-4-2-3-7-23(13)14/h2-4,7-10H,5-6H2,1H3,(H,17,24).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47047887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).