2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

C14H18N4O3S — CID 99930061

IUPAC2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)NC1=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H18N4O3S/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h9H,1-7H2,(H,15,19)(H2,17,18,20,21)/t9-/m1/s1
InChIKeyMSXAWJQDGKIVQB-SECBINFHSA-N
MW322.39 g/mol
LogP0.28
Rot. Bonds5

About 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 99930061) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID99930061
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)NC1=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H18N4O3S/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h9H,1-7H2,(H,15,19)(H2,17,18,20,21)/t9-/m1/s1
InChIKeyMSXAWJQDGKIVQB-SECBINFHSA-N
XLogP0.28
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.28
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

2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97154090
cis-(1R,3S)-3-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 133118561
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]butanamide
CID 110460663
N-butyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388540
N-cyclopentyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388544
5-oxo-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]pentanoic acid
CID 110442636
N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388612
(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 125445382

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 99930061) is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is O=C(C[C@H]1NC(=O)NC1=O)NCCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is MSXAWJQDGKIVQB-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h9H,1-7H2,(H,15,19)(H2,17,18,20,21)/t9-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 99930061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).