N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide

C19H17N3O2S — CID 38135778

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17N3O2S/c23-18(20-11-17-22-15-6-1-2-7-16(15)25-17)13-4-3-5-14(10-13)21-19(24)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,20,23)(H,21,24)
InChIKeyQIZUJMGABRDHDI-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.57
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 38135778) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
PubChem CID38135778
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17N3O2S/c23-18(20-11-17-22-15-6-1-2-7-16(15)25-17)13-4-3-5-14(10-13)21-19(24)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,20,23)(H,21,24)
InChIKeyQIZUJMGABRDHDI-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-N-(1,3-benzothiazol-2-ylmethyl)-4-N-phenylpiperidine-1,4-dicarboxamide
CID 36900031
N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]phenyl]cyclopropanecarboxamide
CID 26401273
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 38283803
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 38135193
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
CID 24586252
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
CID 38284178
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide (CID 38135778) is N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide is O=C(NCc1nc2ccccc2s1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is QIZUJMGABRDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(20-11-17-22-15-6-1-2-7-16(15)25-17)13-4-3-5-14(10-13)21-19(24)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,20,23)(H,21,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 38135778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).