N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide

C16H16N6OS — CID 58242990

IUPACN-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C2CC2)n(-c2ncc(NC(=O)c3scnc3C)cn2)n1
InChIInChI=1S/C16H16N6OS/c1-9-5-13(11-3-4-11)22(21-9)16-17-6-12(7-18-16)20-15(23)14-10(2)19-8-24-14/h5-8,11H,3-4H2,1-2H3,(H,20,23)
InChIKeyNJTXOKJOFIKQHM-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 58242990) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID58242990
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C2CC2)n(-c2ncc(NC(=O)c3scnc3C)cn2)n1
InChIInChI=1S/C16H16N6OS/c1-9-5-13(11-3-4-11)22(21-9)16-17-6-12(7-18-16)20-15(23)14-10(2)19-8-24-14/h5-8,11H,3-4H2,1-2H3,(H,20,23)
InChIKeyNJTXOKJOFIKQHM-UHFFFAOYSA-N
XLogP2.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 58242990) is N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(C2CC2)n(-c2ncc(NC(=O)c3scnc3C)cn2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NJTXOKJOFIKQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-9-5-13(11-3-4-11)22(21-9)16-17-6-12(7-18-16)20-15(23)14-10(2)19-8-24-14/h5-8,11H,3-4H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58242990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).