5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide

C15H17N7OS — CID 69345884

IUPAC5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCn1nccc1Nc1sc(C)nc1C(=O)Nc1ccnc(C)n1
InChIInChI=1S/C15H17N7OS/c1-4-22-12(6-8-17-22)21-15-13(19-10(3)24-15)14(23)20-11-5-7-16-9(2)18-11/h5-8,21H,4H2,1-3H3,(H,16,18,20,23)
InChIKeyVDUVOTNNNVEGAT-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.76
Rot. Bonds5

About 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide

5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 69345884) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID69345884
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCn1nccc1Nc1sc(C)nc1C(=O)Nc1ccnc(C)n1
InChIInChI=1S/C15H17N7OS/c1-4-22-12(6-8-17-22)21-15-13(19-10(3)24-15)14(23)20-11-5-7-16-9(2)18-11/h5-8,21H,4H2,1-3H3,(H,16,18,20,23)
InChIKeyVDUVOTNNNVEGAT-UHFFFAOYSA-N
XLogP2.76
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide (CID 69345884) is 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide is CCn1nccc1Nc1sc(C)nc1C(=O)Nc1ccnc(C)n1.
What is the InChIKey of 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VDUVOTNNNVEGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-4-22-12(6-8-17-22)21-15-13(19-10(3)24-15)14(23)20-11-5-7-16-9(2)18-11/h5-8,21H,4H2,1-3H3,(H,16,18,20,23).
What are the key properties of 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 69345884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).