2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C13H13N5OS2 — CID 110451327

IUPAC2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc3nc(N)sc3c2)s1
InChIInChI=1S/C13H13N5OS2/c1-2-3-10-17-18-13(21-10)16-11(19)7-4-5-8-9(6-7)20-12(14)15-8/h4-6H,2-3H2,1H3,(H2,14,15)(H,16,18,19)
InChIKeyOAQWQUBHXFFSKR-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 110451327) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID110451327
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc3nc(N)sc3c2)s1
InChIInChI=1S/C13H13N5OS2/c1-2-3-10-17-18-13(21-10)16-11(19)7-4-5-8-9(6-7)20-12(14)15-8/h4-6H,2-3H2,1H3,(H2,14,15)(H,16,18,19)
InChIKeyOAQWQUBHXFFSKR-UHFFFAOYSA-N
XLogP2.93
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 39033471
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide
CID 39036878
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451251
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 86851557
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 110451327) is 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide is CCCc1nnc(NC(=O)c2ccc3nc(N)sc3c2)s1.
What is the InChIKey of 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is OAQWQUBHXFFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-2-3-10-17-18-13(21-10)16-11(19)7-4-5-8-9(6-7)20-12(14)15-8/h4-6H,2-3H2,1H3,(H2,14,15)(H,16,18,19).
What are the key properties of 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110451327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).