N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide

C18H18N4O2S — CID 46325788

IUPACN-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(C)ccc3C)cc2s1
InChIInChI=1S/C18H18N4O2S/c1-10-4-5-11(2)15(8-10)21-17(24)20-13-6-7-14-16(9-13)25-18(22-14)19-12(3)23/h4-9H,1-3H3,(H,19,22,23)(H2,20,21,24)
InChIKeyIDMHRVGUGBAPAR-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.52
Rot. Bonds3

About N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide

N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46325788) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46325788
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(C)ccc3C)cc2s1
InChIInChI=1S/C18H18N4O2S/c1-10-4-5-11(2)15(8-10)21-17(24)20-13-6-7-14-16(9-13)25-18(22-14)19-12(3)23/h4-9H,1-3H3,(H,19,22,23)(H2,20,21,24)
InChIKeyIDMHRVGUGBAPAR-UHFFFAOYSA-N
XLogP4.52
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382482
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325920
N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide
CID 46325493
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
1-(3-aminophenyl)-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 29277539
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-amino-3-methylbutanamide;hydrochloride
CID 119277664

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide (CID 46325788) is N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(NC(=O)Nc3cc(C)ccc3C)cc2s1.
What is the InChIKey of N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is IDMHRVGUGBAPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-4-5-11(2)15(8-10)21-17(24)20-13-6-7-14-16(9-13)25-18(22-14)19-12(3)23/h4-9H,1-3H3,(H,19,22,23)(H2,20,21,24).
What are the key properties of N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46325788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).