N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C16H16N4O3S — CID 95284997

IUPACN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc2nc(C3CC3)sc2c1
InChIInChI=1S/C16H16N4O3S/c21-13(6-5-11-14(22)20-16(23)19-11)17-9-3-4-10-12(7-9)24-15(18-10)8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,17,21)(H2,19,20,22,23)/t11-/m0/s1
InChIKeyRXBCWZHKNBBMLE-NSHDSACASA-N
MW344.40 g/mol
LogP2.10
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 95284997) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID95284997
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc2nc(C3CC3)sc2c1
InChIInChI=1S/C16H16N4O3S/c21-13(6-5-11-14(22)20-16(23)19-11)17-9-3-4-10-12(7-9)24-15(18-10)8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,17,21)(H2,19,20,22,23)/t11-/m0/s1
InChIKeyRXBCWZHKNBBMLE-NSHDSACASA-N
XLogP2.10
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
CID 167907220
methyl 4-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoylamino]benzoate
CID 25465841
N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 25465837
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 75364529
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide
CID 128749827
(2S)-2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119306502

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 95284997) is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc2nc(C3CC3)sc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is RXBCWZHKNBBMLE-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-13(6-5-11-14(22)20-16(23)19-11)17-9-3-4-10-12(7-9)24-15(18-10)8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,17,21)(H2,19,20,22,23)/t11-/m0/s1.
What are the key properties of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 344.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 95284997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).