2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

C13H13N5O4S3 — CID 39035040

IUPAC2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCOCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1
InChIInChI=1S/C13H13N5O4S3/c1-22-6-10-16-17-12(24-10)15-11(19)7-3-4-8-9(5-7)23-13(14-8)18-25(2,20)21/h3-5H,6H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyRIJNMPAJGVPTHW-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.92
Rot. Bonds6

About 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 39035040) has the molecular formula C13H13N5O4S3 and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID39035040
Molecular FormulaC13H13N5O4S3
Molecular Weight399.48 g/mol
Exact Mass399.01
IUPAC Name2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCOCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1
InChIInChI=1S/C13H13N5O4S3/c1-22-6-10-16-17-12(24-10)15-11(19)7-3-4-8-9(5-7)23-13(14-8)18-25(2,20)21/h3-5H,6H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyRIJNMPAJGVPTHW-UHFFFAOYSA-N
XLogP1.92
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide
CID 39036878
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 39032938
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
3-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 35540680
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 39033471
1-(3,4-dimethoxyphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382427
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 35994079

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 39035040) is 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is COCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1.
What is the InChIKey of 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is RIJNMPAJGVPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S3/c1-22-6-10-16-17-12(24-10)15-11(19)7-3-4-8-9(5-7)23-13(14-8)18-25(2,20)21/h3-5H,6H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 39035040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).