3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide

C16H18N4O2S — CID 43980368

IUPAC3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)/N=c1\sc2cc(C)c(C)cc2n1C
InChIInChI=1S/C16H18N4O2S/c1-9-6-12-13(7-10(9)2)23-16(20(12)4)17-14(21)11-8-19(3)18-15(11)22-5/h6-8H,1-5H3/b17-16-
InChIKeySTIQQVUMXOUNTE-MSUUIHNZSA-N
MW330.41 g/mol
LogP2.34
Rot. Bonds2

About 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide

3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide (PubChem CID 43980368) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide
PubChem CID43980368
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)/N=c1\sc2cc(C)c(C)cc2n1C
InChIInChI=1S/C16H18N4O2S/c1-9-6-12-13(7-10(9)2)23-16(20(12)4)17-14(21)11-8-19(3)18-15(11)22-5/h6-8H,1-5H3/b17-16-
InChIKeySTIQQVUMXOUNTE-MSUUIHNZSA-N
XLogP2.34
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide
CID 43978959
ethyl 2-[2-(3-methoxy-1-methylpyrazole-4-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43980424
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
3-methoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-methylpyrazole-4-carboxamide
CID 43938547
3,4,5-triethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047816
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697618
2-methoxy-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40697673
2-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048157
3,4-diethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980184
3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980164
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide (CID 43980368) is 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)/N=c1\sc2cc(C)c(C)cc2n1C.
What is the InChIKey of 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide?
The InChIKey is STIQQVUMXOUNTE-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9-6-12-13(7-10(9)2)23-16(20(12)4)17-14(21)11-8-19(3)18-15(11)22-5/h6-8H,1-5H3/b17-16-.
What are the key properties of 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide is sourced from PubChem (CID 43980368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).