N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

C18H24F3N5O4S — CID 171672498

IUPACN,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC1CN(Cc2nccs2)Cc2nccn2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5O2S.C2HF3O2/c1-19(2)16(22)12-23-11-13-7-20(10-15-18-4-6-24-15)9-14-17-3-5-21(14)8-13;3-2(4,5)1(6)7/h3-6,13H,7-12H2,1-2H3;(H,6,7)
InChIKeyPRPKCJHMXWRFQS-UHFFFAOYSA-N
MW463.48 g/mol
LogP1.71
Rot. Bonds6

About N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 171672498) has the molecular formula C18H24F3N5O4S and a molecular weight of 463.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID171672498
Molecular FormulaC18H24F3N5O4S
Molecular Weight463.48 g/mol
Exact Mass463.15
IUPAC NameN,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC1CN(Cc2nccs2)Cc2nccn2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5O2S.C2HF3O2/c1-19(2)16(22)12-23-11-13-7-20(10-15-18-4-6-24-15)9-14-17-3-5-21(14)8-13;3-2(4,5)1(6)7/h3-6,13H,7-12H2,1-2H3;(H,6,7)
InChIKeyPRPKCJHMXWRFQS-UHFFFAOYSA-N
XLogP1.71
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 171672498) is N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC1CN(Cc2nccs2)Cc2nccn2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PRPKCJHMXWRFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S.C2HF3O2/c1-19(2)16(22)12-23-11-13-7-20(10-15-18-4-6-24-15)9-14-17-3-5-21(14)8-13;3-2(4,5)1(6)7/h3-6,13H,7-12H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171672498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).