N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine

C18H25N3S — CID 4736624

IUPACN,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine
SMILESCC(C)(C)NC1C=C(C(C)(C)C)Sc2nc3ccccc3n21
InChIInChI=1S/C18H25N3S/c1-17(2,3)14-11-15(20-18(4,5)6)21-13-10-8-7-9-12(13)19-16(21)22-14/h7-11,15,20H,1-6H3
InChIKeyWSMJLIISQBYSAG-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.96
Rot. Bonds1

About N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine

N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine (PubChem CID 4736624) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine
PubChem CID4736624
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine
SMILESCC(C)(C)NC1C=C(C(C)(C)C)Sc2nc3ccccc3n21
InChIInChI=1S/C18H25N3S/c1-17(2,3)14-11-15(20-18(4,5)6)21-13-10-8-7-9-12(13)19-16(21)22-14/h7-11,15,20H,1-6H3
InChIKeyWSMJLIISQBYSAG-UHFFFAOYSA-N
XLogP4.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine?
The IUPAC name of N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine (CID 4736624) is N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine.
What is the SMILES notation for N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine?
The canonical SMILES for N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine is CC(C)(C)NC1C=C(C(C)(C)C)Sc2nc3ccccc3n21.
What is the InChIKey of N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine?
The InChIKey is WSMJLIISQBYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-17(2,3)14-11-15(20-18(4,5)6)21-13-10-8-7-9-12(13)19-16(21)22-14/h7-11,15,20H,1-6H3.
What are the key properties of N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine?
N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine has a molecular weight of 315.49 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine is sourced from PubChem (CID 4736624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).