5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine

C14H19BrN4S2 — CID 162492639

IUPAC5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine
SMILESCN(c1nc2sc(Br)nc2s1)C1C[C@]2(C)CC[C@](C)(C1)N2
InChIInChI=1S/C14H19BrN4S2/c1-13-4-5-14(2,18-13)7-8(6-13)19(3)12-17-10-9(21-12)16-11(15)20-10/h8,18H,4-7H2,1-3H3/t8?,13-,14+
InChIKeyNECZEBFSWUONQN-QUQWTWJRSA-N
MW387.37 g/mol
LogP4.01
Rot. Bonds2

About 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine

5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine (PubChem CID 162492639) has the molecular formula C14H19BrN4S2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine
PubChem CID162492639
Molecular FormulaC14H19BrN4S2
Molecular Weight387.37 g/mol
Exact Mass386.02
IUPAC Name5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine
SMILESCN(c1nc2sc(Br)nc2s1)C1C[C@]2(C)CC[C@](C)(C1)N2
InChIInChI=1S/C14H19BrN4S2/c1-13-4-5-14(2,18-13)7-8(6-13)19(3)12-17-10-9(21-12)16-11(15)20-10/h8,18H,4-7H2,1-3H3/t8?,13-,14+
InChIKeyNECZEBFSWUONQN-QUQWTWJRSA-N
XLogP4.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine (CID 162492639) is 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine is CN(c1nc2sc(Br)nc2s1)C1C[C@]2(C)CC[C@](C)(C1)N2.
What is the InChIKey of 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine?
The InChIKey is NECZEBFSWUONQN-QUQWTWJRSA-N. The full InChI is InChI=1S/C14H19BrN4S2/c1-13-4-5-14(2,18-13)7-8(6-13)19(3)12-17-10-9(21-12)16-11(15)20-10/h8,18H,4-7H2,1-3H3/t8?,13-,14+.
What are the key properties of 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine?
5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine has a molecular weight of 387.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 162492639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).