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

C14H19N5O2S — CID 118744573

IUPAC6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCc1nc(COCC2CN(C(N)=O)Cc3nccn3C2)cs1
InChIInChI=1S/C14H19N5O2S/c1-10-17-12(9-22-10)8-21-7-11-4-18-3-2-16-13(18)6-19(5-11)14(15)20/h2-3,9,11H,4-8H2,1H3,(H2,15,20)
InChIKeyVQCKNTLEBQYZRV-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.38
Rot. Bonds4

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

6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 118744573) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID118744573
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCc1nc(COCC2CN(C(N)=O)Cc3nccn3C2)cs1
InChIInChI=1S/C14H19N5O2S/c1-10-17-12(9-22-10)8-21-7-11-4-18-3-2-16-13(18)6-19(5-11)14(15)20/h2-3,9,11H,4-8H2,1H3,(H2,15,20)
InChIKeyVQCKNTLEBQYZRV-UHFFFAOYSA-N
XLogP1.38
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 118744573) is 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is Cc1nc(COCC2CN(C(N)=O)Cc3nccn3C2)cs1.
What is the InChIKey of 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is VQCKNTLEBQYZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-17-12(9-22-10)8-21-7-11-4-18-3-2-16-13(18)6-19(5-11)14(15)20/h2-3,9,11H,4-8H2,1H3,(H2,15,20).
What are the key properties of 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 118744573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).