2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide

C15H15N3OS2 — CID 65349627

IUPAC2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H15N3OS2/c1-9(7-11-3-2-6-20-11)17-14(19)10-4-5-12-13(8-10)21-15(16)18-12/h2-6,8-9H,7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyXWMPTBKEGSGWIU-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.30
Rot. Bonds4

About 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349627) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349627
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H15N3OS2/c1-9(7-11-3-2-6-20-11)17-14(19)10-4-5-12-13(8-10)21-15(16)18-12/h2-6,8-9H,7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyXWMPTBKEGSGWIU-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide (CID 65349627) is 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide is CC(Cc1cccs1)NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XWMPTBKEGSGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9(7-11-3-2-6-20-11)17-14(19)10-4-5-12-13(8-10)21-15(16)18-12/h2-6,8-9H,7H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).