N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide

C18H22N4O2S2 — CID 51370683

IUPACN-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2cc3sc(NC(=O)C(C)(C)C)nc3cc2s1
InChIInChI=1S/C18H22N4O2S2/c1-17(2,3)13(23)21-15-19-9-7-12-10(8-11(9)25-15)20-16(26-12)22-14(24)18(4,5)6/h7-8H,1-6H3,(H,19,21,23)(H,20,22,24)
InChIKeyGTJBDANKBTVYQS-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.88
Rot. Bonds2

About N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide

N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide (PubChem CID 51370683) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
PubChem CID51370683
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2cc3sc(NC(=O)C(C)(C)C)nc3cc2s1
InChIInChI=1S/C18H22N4O2S2/c1-17(2,3)13(23)21-15-19-9-7-12-10(8-11(9)25-15)20-16(26-12)22-14(24)18(4,5)6/h7-8H,1-6H3,(H,19,21,23)(H,20,22,24)
InChIKeyGTJBDANKBTVYQS-UHFFFAOYSA-N
XLogP4.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 91742187
N-[2-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 43019026
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide (CID 51370683) is N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2cc3sc(NC(=O)C(C)(C)C)nc3cc2s1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide?
The InChIKey is GTJBDANKBTVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-17(2,3)13(23)21-15-19-9-7-12-10(8-11(9)25-15)20-16(26-12)22-14(24)18(4,5)6/h7-8H,1-6H3,(H,19,21,23)(H,20,22,24).
What are the key properties of N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide?
N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide has a molecular weight of 390.53 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 51370683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).