N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)

C12H15F6N3O4S — CID 155092596

IUPACN,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)c1nc2c(s1)CNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3S.2C2HF3O2/c1-11(2)8-10-6-3-4-9-5-7(6)12-8;2*3-2(4,5)1(6)7/h9H,3-5H2,1-2H3;2*(H,6,7)
InChIKeyIQBWIEILLYZMKD-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.12
Rot. Bonds1

About N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155092596) has the molecular formula C12H15F6N3O4S and a molecular weight of 411.32 g/mol. Its IUPAC name is N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155092596
Molecular FormulaC12H15F6N3O4S
Molecular Weight411.32 g/mol
Exact Mass411.07
IUPAC NameN,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)c1nc2c(s1)CNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3S.2C2HF3O2/c1-11(2)8-10-6-3-4-9-5-7(6)12-8;2*3-2(4,5)1(6)7/h9H,3-5H2,1-2H3;2*(H,6,7)
InChIKeyIQBWIEILLYZMKD-UHFFFAOYSA-N
XLogP2.12
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

(E)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 2476228
N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)acetamide
CID 28274565
2,2,2-trifluoro-N-{4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridin-2-yl}acetamide, trifluoroacetic acid
CID 177799645
4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 4266255
Ethyl (4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbamate
CID 43593408
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017643
2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 17842573
[5-(2,2,2-Trifluoro-acetyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-yl]-carbamic acid tert-butyl ester
CID 86695355
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2,2,2-trifluoroethanone
CID 89790892
2-Methoxy-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 122444692
[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid
CID 140616582
7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 142605703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 155092596) is N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) is CN(C)c1nc2c(s1)CNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IQBWIEILLYZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.2C2HF3O2/c1-11(2)8-10-6-3-4-9-5-7(6)12-8;2*3-2(4,5)1(6)7/h9H,3-5H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 411.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155092596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).