N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide

C16H20N2O4S — CID 40508938

IUPACN-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide
SMILESCOCCn1/c(=N/C(=O)C2CC2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H20N2O4S/c1-20-7-6-18-11-8-12(21-2)13(22-3)9-14(11)23-16(18)17-15(19)10-4-5-10/h8-10H,4-7H2,1-3H3/b17-16-
InChIKeyNNWWUKIHGCLXES-MSUUIHNZSA-N
MW336.41 g/mol
LogP2.20
Rot. Bonds6

About N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide

N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide (PubChem CID 40508938) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide
PubChem CID40508938
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide
SMILESCOCCn1/c(=N/C(=O)C2CC2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H20N2O4S/c1-20-7-6-18-11-8-12(21-2)13(22-3)9-14(11)23-16(18)17-15(19)10-4-5-10/h8-10H,4-7H2,1-3H3/b17-16-
InChIKeyNNWWUKIHGCLXES-MSUUIHNZSA-N
XLogP2.20
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]cyclopentanecarboxamide
CID 43937645
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 40508999
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 40509012
2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
CID 40951395
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 41007554
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 4049895
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 74691431
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525126
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 43938678
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 5075437
5-chloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892645
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]propanamide
CID 5073898

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide?
The IUPAC name of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide (CID 40508938) is N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide.
What is the SMILES notation for N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide?
The canonical SMILES for N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide is COCCn1/c(=N/C(=O)C2CC2)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide?
The InChIKey is NNWWUKIHGCLXES-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-20-7-6-18-11-8-12(21-2)13(22-3)9-14(11)23-16(18)17-15(19)10-4-5-10/h8-10H,4-7H2,1-3H3/b17-16-.
What are the key properties of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide?
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide is sourced from PubChem (CID 40508938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).