N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide

C16H18N4O3S — CID 9393075

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CCCN1C(=O)CNC1=O
InChIInChI=1S/C16H18N4O3S/c1-19(10-13-18-11-5-2-3-6-12(11)24-13)14(21)7-4-8-20-15(22)9-17-16(20)23/h2-3,5-6H,4,7-10H2,1H3,(H,17,23)
InChIKeyGUAWYRYLVGQHRE-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.59
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide

N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide (PubChem CID 9393075) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
PubChem CID9393075
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CCCN1C(=O)CNC1=O
InChIInChI=1S/C16H18N4O3S/c1-19(10-13-18-11-5-2-3-6-12(11)24-13)14(21)7-4-8-20-15(22)9-17-16(20)23/h2-3,5-6H,4,7-10H2,1H3,(H,17,23)
InChIKeyGUAWYRYLVGQHRE-UHFFFAOYSA-N
XLogP1.59
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 41440469
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8548794
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 31549369
N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide
CID 31734194
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 41440587
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573213
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9393461
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 9393446
(3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8545686

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide (CID 9393075) is N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide is CN(Cc1nc2ccccc2s1)C(=O)CCCN1C(=O)CNC1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
The InChIKey is GUAWYRYLVGQHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-19(10-13-18-11-5-2-3-6-12(11)24-13)14(21)7-4-8-20-15(22)9-17-16(20)23/h2-3,5-6H,4,7-10H2,1H3,(H,17,23).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide has a molecular weight of 346.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 9393075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).