N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C20H14N2O3S2 — CID 20877839

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)sc2c1
InChIInChI=1S/C20H14N2O3S2/c1-24-12-6-7-14-16(9-12)27-20(21-14)22-19(23)17-8-11-10-25-15-5-3-2-4-13(15)18(11)26-17/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyBPGCZGQBDKBCJM-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.18
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877839) has the molecular formula C20H14N2O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877839
Molecular FormulaC20H14N2O3S2
Molecular Weight394.48 g/mol
Exact Mass394.04
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)sc2c1
InChIInChI=1S/C20H14N2O3S2/c1-24-12-6-7-14-16(9-12)27-20(21-14)22-19(23)17-8-11-10-25-15-5-3-2-4-13(15)18(11)26-17/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyBPGCZGQBDKBCJM-UHFFFAOYSA-N
XLogP5.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 24564369
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 26120032
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
3-(2-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87394940
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877839) is N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is COc1ccc2nc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is BPGCZGQBDKBCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S2/c1-24-12-6-7-14-16(9-12)27-20(21-14)22-19(23)17-8-11-10-25-15-5-3-2-4-13(15)18(11)26-17/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).