4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole

C17H24N4OS — CID 118743597

IUPAC4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2Cc3nccn3CC(COCC3CC3)C2)cs1
InChIInChI=1S/C17H24N4OS/c1-13-19-16(12-23-13)8-20-6-15(11-22-10-14-2-3-14)7-21-5-4-18-17(21)9-20/h4-5,12,14-15H,2-3,6-11H2,1H3
InChIKeySKNRQCHKLXWWII-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.71
Rot. Bonds6

About 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole

4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 118743597) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID118743597
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2Cc3nccn3CC(COCC3CC3)C2)cs1
InChIInChI=1S/C17H24N4OS/c1-13-19-16(12-23-13)8-20-6-15(11-22-10-14-2-3-14)7-21-5-4-18-17(21)9-20/h4-5,12,14-15H,2-3,6-11H2,1H3
InChIKeySKNRQCHKLXWWII-UHFFFAOYSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (CID 118743597) is 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2Cc3nccn3CC(COCC3CC3)C2)cs1.
What is the InChIKey of 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is SKNRQCHKLXWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-19-16(12-23-13)8-20-6-15(11-22-10-14-2-3-14)7-21-5-4-18-17(21)9-20/h4-5,12,14-15H,2-3,6-11H2,1H3.
What are the key properties of 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118743597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).