3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

C17H17N3O2S2 — CID 39761645

IUPAC3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H17N3O2S2/c1-11-4-9-23-15(11)16(21)18-12-2-3-13-14(10-12)24-17(19-13)20-5-7-22-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,18,21)
InChIKeyWVEWPADROVXOSA-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.76
Rot. Bonds3

About 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 39761645) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID39761645
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H17N3O2S2/c1-11-4-9-23-15(11)16(21)18-12-2-3-13-14(10-12)24-17(19-13)20-5-7-22-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,18,21)
InChIKeyWVEWPADROVXOSA-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 46437904
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
4-acetyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide
CID 9362111
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 9166050
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 39761645) is 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is WVEWPADROVXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-4-9-23-15(11)16(21)18-12-2-3-13-14(10-12)24-17(19-13)20-5-7-22-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,18,21).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 39761645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).