N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide

C19H24N4OS — CID 17020932

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H24N4OS/c1-11-15(9-23(2)22-11)17(24)21-18-20-16(10-25-18)19-6-12-3-13(7-19)5-14(4-12)8-19/h9-10,12-14H,3-8H2,1-2H3,(H,20,21,24)
InChIKeyAGDGXLQMPSMGGP-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.91
Rot. Bonds3

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 17020932) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID17020932
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H24N4OS/c1-11-15(9-23(2)22-11)17(24)21-18-20-16(10-25-18)19-6-12-3-13(7-19)5-14(4-12)8-19/h9-10,12-14H,3-8H2,1-2H3,(H,20,21,24)
InChIKeyAGDGXLQMPSMGGP-UHFFFAOYSA-N
XLogP3.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 17020932) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AGDGXLQMPSMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-11-15(9-23(2)22-11)17(24)21-18-20-16(10-25-18)19-6-12-3-13(7-19)5-14(4-12)8-19/h9-10,12-14H,3-8H2,1-2H3,(H,20,21,24).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 17020932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).