methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate

C17H18N4O3S — CID 47055689

IUPACmethyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)n1
InChIInChI=1S/C17H18N4O3S/c1-11-7-8-21(20-11)14-5-3-12(4-6-14)16(23)19-17-18-13(10-25-17)9-15(22)24-2/h3-6,10H,7-9H2,1-2H3,(H,18,19,23)
InChIKeyAJOCUXHDKBAFDH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.70
Rot. Bonds5

About methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 47055689) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID47055689
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Namemethyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)n1
InChIInChI=1S/C17H18N4O3S/c1-11-7-8-21(20-11)14-5-3-12(4-6-14)16(23)19-17-18-13(10-25-17)9-15(22)24-2/h3-6,10H,7-9H2,1-2H3,(H,18,19,23)
InChIKeyAJOCUXHDKBAFDH-UHFFFAOYSA-N
XLogP2.70
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699318
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
methyl 2-[2-[(6-methoxypyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985431
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55904017
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 9166067
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47231516
methyl 2-[2-[(1-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 113264976
4-chloro-N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27443348
methyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985076

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 47055689) is methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)n1.
What is the InChIKey of methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AJOCUXHDKBAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-7-8-21(20-11)14-5-3-12(4-6-14)16(23)19-17-18-13(10-25-17)9-15(22)24-2/h3-6,10H,7-9H2,1-2H3,(H,18,19,23).
What are the key properties of methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 358.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 47055689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).