3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C25H20N4O3S — CID 66604915

IUPAC3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc3scnc3c2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H20N4O3S/c26-24(30)19-10-16(14-2-4-22-21(11-14)27-13-33-22)9-18-17-3-1-15(12-20(17)28-23(18)19)25(31)29-5-7-32-8-6-29/h1-4,9-13,28H,5-8H2,(H2,26,30)
InChIKeyDYTSUWASUOJRHI-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.17
Rot. Bonds3

About 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604915) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604915
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc3scnc3c2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H20N4O3S/c26-24(30)19-10-16(14-2-4-22-21(11-14)27-13-33-22)9-18-17-3-1-15(12-20(17)28-23(18)19)25(31)29-5-7-32-8-6-29/h1-4,9-13,28H,5-8H2,(H2,26,30)
InChIKeyDYTSUWASUOJRHI-UHFFFAOYSA-N
XLogP4.17
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604693
2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66606010
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(thiazol-5-yl)phenyl)methanone
CID 46880812
(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one
CID 90452949
5-[(Z)-[5-(1,3-benzothiazol-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 118696329
3-(2-methoxyethylamino)-N-[3-[5-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 155148062
3-[2-[2-[3-(2-methoxyethylamino)propanoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-1,3-benzothiazol-5-yl]-N,N-dimethylbenzamide
CID 155148068
3-fluoro-4-[2-[2-[3-(2-methoxyethylamino)propanoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-1,3-benzothiazol-5-yl]-N,N-dimethylbenzamide
CID 155547179
(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1H-indol-2-one
CID 90453042
US10294217, Example 45
CID 126674026
US9567339, Example A.7.3
CID 86762827
N-[2-(dimethylamino)ethyl]-3-[2-[2-[3-(2-methoxyethylamino)propanoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-1,3-benzothiazol-5-yl]benzamide
CID 155550310

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604915) is 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccc3scnc3c2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is DYTSUWASUOJRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c26-24(30)19-10-16(14-2-4-22-21(11-14)27-13-33-22)9-18-17-3-1-15(12-20(17)28-23(18)19)25(31)29-5-7-32-8-6-29/h1-4,9-13,28H,5-8H2,(H2,26,30).
What are the key properties of 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).