N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide

C16H18N4O3S — CID 42111008

IUPACN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H18N4O3S/c1-5-20-11-8-12(22-3)13(23-4)9-14(11)24-16(20)17-15(21)10-6-7-19(2)18-10/h6-9H,5H2,1-4H3/b17-16-
InChIKeyIYWKHJMUBBECLB-MSUUIHNZSA-N
MW346.41 g/mol
LogP2.21
Rot. Bonds4

About N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide (PubChem CID 42111008) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide
PubChem CID42111008
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H18N4O3S/c1-5-20-11-8-12(22-3)13(23-4)9-14(11)24-16(20)17-15(21)10-6-7-19(2)18-10/h6-9H,5H2,1-4H3/b17-16-
InChIKeyIYWKHJMUBBECLB-MSUUIHNZSA-N
XLogP2.21
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 41092228
2-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41092042
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 40951488
4-benzyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 43979330
ethyl 2-[2-(1,5-dimethylpyrazole-3-carbonyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 16952470
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 40509037
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340186
2-chloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134027
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 40951521
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362843
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 40697354

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide (CID 42111008) is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide is CCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide?
The InChIKey is IYWKHJMUBBECLB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-5-20-11-8-12(22-3)13(23-4)9-14(11)24-16(20)17-15(21)10-6-7-19(2)18-10/h6-9H,5H2,1-4H3/b17-16-.
What are the key properties of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide?
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42111008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).