2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide

C18H26N4O2S — CID 134257064

IUPAC2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide
SMILESCc1cc2nc(NC(=O)CN(C)C(=O)CNC(C)(C)C)sc2cc1C
InChIInChI=1S/C18H26N4O2S/c1-11-7-13-14(8-12(11)2)25-17(20-13)21-15(23)10-22(6)16(24)9-19-18(3,4)5/h7-8,19H,9-10H2,1-6H3,(H,20,21,23)
InChIKeyUUCQLIQHLVOAKP-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.70
Rot. Bonds5

About 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide

2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide (PubChem CID 134257064) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide
PubChem CID134257064
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide
SMILESCc1cc2nc(NC(=O)CN(C)C(=O)CNC(C)(C)C)sc2cc1C
InChIInChI=1S/C18H26N4O2S/c1-11-7-13-14(8-12(11)2)25-17(20-13)21-15(23)10-22(6)16(24)9-19-18(3,4)5/h7-8,19H,9-10H2,1-6H3,(H,20,21,23)
InChIKeyUUCQLIQHLVOAKP-UHFFFAOYSA-N
XLogP2.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 158201595
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
CID 122624832
2-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
CID 122625083
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7524874
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
N-[2-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 43019026
4-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]pentanamide
CID 156566187
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide
CID 158921528
(2S)-2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 28661952
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43980536

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide (CID 134257064) is 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide is Cc1cc2nc(NC(=O)CN(C)C(=O)CNC(C)(C)C)sc2cc1C.
What is the InChIKey of 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide?
The InChIKey is UUCQLIQHLVOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-11-7-13-14(8-12(11)2)25-17(20-13)21-15(23)10-22(6)16(24)9-19-18(3,4)5/h7-8,19H,9-10H2,1-6H3,(H,20,21,23).
What are the key properties of 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide?
2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide has a molecular weight of 362.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 134257064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).