methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate

C14H11N3O3S2 — CID 9166067

IUPACmethyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc3ncsc3c2)n1
InChIInChI=1S/C14H11N3O3S2/c1-20-12(18)5-9-6-21-14(16-9)17-13(19)8-2-3-10-11(4-8)22-7-15-10/h2-4,6-7H,5H2,1H3,(H,16,17,19)
InChIKeyFFNVRAZSBSCBMV-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 9166067) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID9166067
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC Namemethyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc3ncsc3c2)n1
InChIInChI=1S/C14H11N3O3S2/c1-20-12(18)5-9-6-21-14(16-9)17-13(19)8-2-3-10-11(4-8)22-7-15-10/h2-4,6-7H,5H2,1H3,(H,16,17,19)
InChIKeyFFNVRAZSBSCBMV-UHFFFAOYSA-N
XLogP2.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
N-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4133466
methyl 2-[2-[(6-methoxypyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985431
ethyl 2-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]acetate
CID 107806769
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44916350
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
methyl 2-[2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986923

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 9166067) is methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2ccc3ncsc3c2)n1.
What is the InChIKey of methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is FFNVRAZSBSCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c1-20-12(18)5-9-6-21-14(16-9)17-13(19)8-2-3-10-11(4-8)22-7-15-10/h2-4,6-7H,5H2,1H3,(H,16,17,19).
What are the key properties of methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 333.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9166067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).