N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid

C18H24F3N5O4S — CID 118744576

IUPACN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCC2CN(C(=O)N(C)C)Cc3nccn3C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5O2S.C2HF3O2/c1-12-18-14(11-24-12)10-23-9-13-6-20-5-4-17-15(20)8-21(7-13)16(22)19(2)3;3-2(4,5)1(6)7/h4-5,11,13H,6-10H2,1-3H3;(H,6,7)
InChIKeyLYIQBNNNHQNOJX-UHFFFAOYSA-N
MW463.48 g/mol
LogP2.61
Rot. Bonds4

About N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744576) has the molecular formula C18H24F3N5O4S and a molecular weight of 463.48 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744576
Molecular FormulaC18H24F3N5O4S
Molecular Weight463.48 g/mol
Exact Mass463.15
IUPAC NameN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCC2CN(C(=O)N(C)C)Cc3nccn3C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5O2S.C2HF3O2/c1-12-18-14(11-24-12)10-23-9-13-6-20-5-4-17-15(20)8-21(7-13)16(22)19(2)3;3-2(4,5)1(6)7/h4-5,11,13H,6-10H2,1-3H3;(H,6,7)
InChIKeyLYIQBNNNHQNOJX-UHFFFAOYSA-N
XLogP2.61
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid (CID 118744576) is N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(COCC2CN(C(=O)N(C)C)Cc3nccn3C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LYIQBNNNHQNOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S.C2HF3O2/c1-12-18-14(11-24-12)10-23-9-13-6-20-5-4-17-15(20)8-21(7-13)16(22)19(2)3;3-2(4,5)1(6)7/h4-5,11,13H,6-10H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).