N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

C16H14N4O2S — CID 42138576

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1
InChIInChI=1S/C16H14N4O2S/c1-2-20-8-7-11(19-20)15(21)18-16-17-14-10-5-3-4-6-12(10)22-9-13(14)23-16/h3-8H,2,9H2,1H3,(H,17,18,21)
InChIKeyPPLGCMFSWHYGHV-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds3

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 42138576) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID42138576
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1
InChIInChI=1S/C16H14N4O2S/c1-2-20-8-7-11(19-20)15(21)18-16-17-14-10-5-3-4-6-12(10)22-9-13(14)23-16/h3-8H,2,9H2,1H3,(H,17,18,21)
InChIKeyPPLGCMFSWHYGHV-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (CID 42138576) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is PPLGCMFSWHYGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-2-20-8-7-11(19-20)15(21)18-16-17-14-10-5-3-4-6-12(10)22-9-13(14)23-16/h3-8H,2,9H2,1H3,(H,17,18,21).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 42138576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).