N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

C17H21N5O2S — CID 70756654

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCCCc2csc(N)n2)cc1N1CCNC1=O
InChIInChI=1S/C17H21N5O2S/c1-11-4-5-12(9-14(11)22-8-7-20-17(22)24)15(23)19-6-2-3-13-10-25-16(18)21-13/h4-5,9-10H,2-3,6-8H2,1H3,(H2,18,21)(H,19,23)(H,20,24)
InChIKeyYQARBKYNNOKLLZ-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.93
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 70756654) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID70756654
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCCCc2csc(N)n2)cc1N1CCNC1=O
InChIInChI=1S/C17H21N5O2S/c1-11-4-5-12(9-14(11)22-8-7-20-17(22)24)15(23)19-6-2-3-13-10-25-16(18)21-13/h4-5,9-10H,2-3,6-8H2,1H3,(H2,18,21)(H,19,23)(H,20,24)
InChIKeyYQARBKYNNOKLLZ-UHFFFAOYSA-N
XLogP1.93
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 50955536
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 131936152
N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 70764622
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70742800
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 72897828
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 70776210
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70714708
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 70756654) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1ccc(C(=O)NCCCc2csc(N)n2)cc1N1CCNC1=O.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is YQARBKYNNOKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-4-5-12(9-14(11)22-8-7-20-17(22)24)15(23)19-6-2-3-13-10-25-16(18)21-13/h4-5,9-10H,2-3,6-8H2,1H3,(H2,18,21)(H,19,23)(H,20,24).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 359.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 70756654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).