2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide

C12H10N4O2S2 — CID 106381237

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCc3csc(=O)[nH]3)cc2s1
InChIInChI=1S/C12H10N4O2S2/c13-11-16-8-2-1-6(3-9(8)20-11)10(17)14-4-7-5-19-12(18)15-7/h1-3,5H,4H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeySWOIHNXKOLRAGV-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 106381237) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID106381237
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCc3csc(=O)[nH]3)cc2s1
InChIInChI=1S/C12H10N4O2S2/c13-11-16-8-2-1-6(3-9(8)20-11)10(17)14-4-7-5-19-12(18)15-7/h1-3,5H,4H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeySWOIHNXKOLRAGV-UHFFFAOYSA-N
XLogP1.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 110451539
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide
CID 106383344
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 106381237) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)NCc3csc(=O)[nH]3)cc2s1.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is SWOIHNXKOLRAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-11-16-8-2-1-6(3-9(8)20-11)10(17)14-4-7-5-19-12(18)15-7/h1-3,5H,4H2,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 106381237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).