N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine

C17H27N5S — CID 97466971

IUPACN-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cnc2n1CCN(Cc1csc(C)n1)CC2
InChIInChI=1S/C17H27N5S/c1-4-20(5-2)12-16-10-18-17-6-7-21(8-9-22(16)17)11-15-13-23-14(3)19-15/h10,13H,4-9,11-12H2,1-3H3
InChIKeyAVJDUFMRXDGGLD-UHFFFAOYSA-N
MW333.51 g/mol
LogP2.55
Rot. Bonds6

About N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine

N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine (PubChem CID 97466971) has the molecular formula C17H27N5S and a molecular weight of 333.51 g/mol. Its IUPAC name is N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
PubChem CID97466971
Molecular FormulaC17H27N5S
Molecular Weight333.51 g/mol
Exact Mass333.20
IUPAC NameN-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cnc2n1CCN(Cc1csc(C)n1)CC2
InChIInChI=1S/C17H27N5S/c1-4-20(5-2)12-16-10-18-17-6-7-21(8-9-22(16)17)11-15-13-23-14(3)19-15/h10,13H,4-9,11-12H2,1-3H3
InChIKeyAVJDUFMRXDGGLD-UHFFFAOYSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine (CID 97466971) is N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine is CCN(CC)Cc1cnc2n1CCN(Cc1csc(C)n1)CC2.
What is the InChIKey of N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
The InChIKey is AVJDUFMRXDGGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c1-4-20(5-2)12-16-10-18-17-6-7-21(8-9-22(16)17)11-15-13-23-14(3)19-15/h10,13H,4-9,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine has a molecular weight of 333.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine is sourced from PubChem (CID 97466971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).