N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C16H24N4OS — CID 50949916

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCn1nc(C)c(CNC(=O)c2sc(CC)nc2C)c1C
InChIInChI=1S/C16H24N4OS/c1-6-8-20-12(5)13(10(3)19-20)9-17-16(21)15-11(4)18-14(7-2)22-15/h6-9H2,1-5H3,(H,17,21)
InChIKeyZZYQQASDVLAEFL-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.17
Rot. Bonds6

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50949916) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50949916
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCn1nc(C)c(CNC(=O)c2sc(CC)nc2C)c1C
InChIInChI=1S/C16H24N4OS/c1-6-8-20-12(5)13(10(3)19-20)9-17-16(21)15-11(4)18-14(7-2)22-15/h6-9H2,1-5H3,(H,17,21)
InChIKeyZZYQQASDVLAEFL-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 50949916) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCCn1nc(C)c(CNC(=O)c2sc(CC)nc2C)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZZYQQASDVLAEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-6-8-20-12(5)13(10(3)19-20)9-17-16(21)15-11(4)18-14(7-2)22-15/h6-9H2,1-5H3,(H,17,21).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50949916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).