N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide

C15H17N5O2S2 — CID 22971264

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3cc(C)n(C)n3)s2)o1
InChIInChI=1S/C15H17N5O2S2/c1-4-10-6-16-12(22-10)8-23-13-7-17-15(24-13)18-14(21)11-5-9(2)20(3)19-11/h5-7H,4,8H2,1-3H3,(H,17,18,21)
InChIKeyBULYQVUNXWHTEQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.28
Rot. Bonds6

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 22971264) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID22971264
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3cc(C)n(C)n3)s2)o1
InChIInChI=1S/C15H17N5O2S2/c1-4-10-6-16-12(22-10)8-23-13-7-17-15(24-13)18-14(21)11-5-9(2)20(3)19-11/h5-7H,4,8H2,1-3H3,(H,17,18,21)
InChIKeyBULYQVUNXWHTEQ-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 22971264) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is CCc1cnc(CSc2cnc(NC(=O)c3cc(C)n(C)n3)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BULYQVUNXWHTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-4-10-6-16-12(22-10)8-23-13-7-17-15(24-13)18-14(21)11-5-9(2)20(3)19-11/h5-7H,4,8H2,1-3H3,(H,17,18,21).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 22971264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).