N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide

C19H21N5O2S — CID 60550796

IUPACN-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N/N=c1/sc2ccccc2n1C
InChIInChI=1S/C19H21N5O2S/c1-12(2)20-18(26)21-14-9-5-4-8-13(14)17(25)22-23-19-24(3)15-10-6-7-11-16(15)27-19/h4-12H,1-3H3,(H,22,25)(H2,20,21,26)/b23-19+
InChIKeyVGHOBGOOFLAOCN-FCDQGJHFSA-N
MW383.48 g/mol
LogP3.02
Rot. Bonds4

About N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide

N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 60550796) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID60550796
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N/N=c1/sc2ccccc2n1C
InChIInChI=1S/C19H21N5O2S/c1-12(2)20-18(26)21-14-9-5-4-8-13(14)17(25)22-23-19-24(3)15-10-6-7-11-16(15)27-19/h4-12H,1-3H3,(H,22,25)(H2,20,21,26)/b23-19+
InChIKeyVGHOBGOOFLAOCN-FCDQGJHFSA-N
XLogP3.02
TPSA87.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 2354326
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
1-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-prop-2-ynylurea
CID 98433969
2,5-dimethoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 16556778
4-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1H-pyrrole-2-carboxamide
CID 47118697
ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
CID 6013283
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6002872
5-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridine-3-carboxamide
CID 86769945
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 52714170

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide (CID 60550796) is N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccccc1C(=O)N/N=c1/sc2ccccc2n1C.
What is the InChIKey of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is VGHOBGOOFLAOCN-FCDQGJHFSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12(2)20-18(26)21-14-9-5-4-8-13(14)17(25)22-23-19-24(3)15-10-6-7-11-16(15)27-19/h4-12H,1-3H3,(H,22,25)(H2,20,21,26)/b23-19+.
What are the key properties of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide?
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 383.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 60550796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).