2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide

C14H20N4OS — CID 115355967

IUPAC2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide
SMILESCc1nc2cc(NCC(=O)NC(C)(C)C)c(N)cc2s1
InChIInChI=1S/C14H20N4OS/c1-8-17-11-6-10(9(15)5-12(11)20-8)16-7-13(19)18-14(2,3)4/h5-6,16H,7,15H2,1-4H3,(H,18,19)
InChIKeyGNTJHWSBDKMMCE-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.51
Rot. Bonds3

About 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide

2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide (PubChem CID 115355967) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide
PubChem CID115355967
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide
SMILESCc1nc2cc(NCC(=O)NC(C)(C)C)c(N)cc2s1
InChIInChI=1S/C14H20N4OS/c1-8-17-11-6-10(9(15)5-12(11)20-8)16-7-13(19)18-14(2,3)4/h5-6,16H,7,15H2,1-4H3,(H,18,19)
InChIKeyGNTJHWSBDKMMCE-UHFFFAOYSA-N
XLogP2.51
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]acetate
CID 43450468
2-methyl-5-N-(3,3,3-trifluoropropyl)-1,3-benzothiazole-5,6-diamine
CID 63226065
2-methyl-5-N-(4,4,4-trifluorobutyl)-1,3-benzothiazole-5,6-diamine
CID 115515261
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-methylethanesulfonamide
CID 106333917
1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]pentan-2-ol
CID 113495522
2-methyl-5-N-(4-methylpentyl)-1,3-benzothiazole-5,6-diamine
CID 63002321
2-methyl-5-N-(2-prop-2-enylsulfanylethyl)-1,3-benzothiazole-5,6-diamine
CID 106425908
5-N-(3-cyclopentylpropyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 106007114
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
N-ethyl-2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]acetamide
CID 43566420
2-methyl-5-N-[(3-methylcyclopentyl)methyl]-1,3-benzothiazole-5,6-diamine
CID 107411223
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide (CID 115355967) is 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide is Cc1nc2cc(NCC(=O)NC(C)(C)C)c(N)cc2s1.
What is the InChIKey of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide?
The InChIKey is GNTJHWSBDKMMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-17-11-6-10(9(15)5-12(11)20-8)16-7-13(19)18-14(2,3)4/h5-6,16H,7,15H2,1-4H3,(H,18,19).
What are the key properties of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide?
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide has a molecular weight of 292.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 115355967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).