N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C16H17N5OS — CID 117083197

IUPACN-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C16H17N5OS/c1-10-14(11(2)21(3)20-10)16-19-9-13(23-16)15(22)18-8-12-5-4-6-17-7-12/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyYHHVMPMHSNKHAX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.49
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117083197) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117083197
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C16H17N5OS/c1-10-14(11(2)21(3)20-10)16-19-9-13(23-16)15(22)18-8-12-5-4-6-17-7-12/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyYHHVMPMHSNKHAX-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117083197) is N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nn(C)c(C)c1-c1ncc(C(=O)NCc2cccnc2)s1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YHHVMPMHSNKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10-14(11(2)21(3)20-10)16-19-9-13(23-16)15(22)18-8-12-5-4-6-17-7-12/h4-7,9H,8H2,1-3H3,(H,18,22).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).