N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C19H22N6O3S — CID 41158710

IUPACN-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)NCCCn2ccnc2)cs1
InChIInChI=1S/C19H22N6O3S/c1-28-16-6-3-2-5-15(16)23-18(27)24-19-22-14(12-29-19)11-17(26)21-7-4-9-25-10-8-20-13-25/h2-3,5-6,8,10,12-13H,4,7,9,11H2,1H3,(H,21,26)(H2,22,23,24,27)
InChIKeyCMXJZMXHYNYGJZ-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.74
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 41158710) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID41158710
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)NCCCn2ccnc2)cs1
InChIInChI=1S/C19H22N6O3S/c1-28-16-6-3-2-5-15(16)23-18(27)24-19-22-14(12-29-19)11-17(26)21-7-4-9-25-10-8-20-13-25/h2-3,5-6,8,10,12-13H,4,7,9,11H2,1H3,(H,21,26)(H2,22,23,24,27)
InChIKeyCMXJZMXHYNYGJZ-UHFFFAOYSA-N
XLogP2.74
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
N-cyclopropyl-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 27451343
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
N-(3-chloro-2-methylphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841739
(2R)-2-(3-imidazol-1-ylpropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid
CID 40746574
N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568232
3,5-dimethoxy-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841940

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 41158710) is N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1ccccc1NC(=O)Nc1nc(CC(=O)NCCCn2ccnc2)cs1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is CMXJZMXHYNYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-28-16-6-3-2-5-15(16)23-18(27)24-19-22-14(12-29-19)11-17(26)21-7-4-9-25-10-8-20-13-25/h2-3,5-6,8,10,12-13H,4,7,9,11H2,1H3,(H,21,26)(H2,22,23,24,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 41158710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).