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

C15H21N5OS — CID 97483767

IUPAC2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)s1
InChIInChI=1S/C15H21N5OS/c1-11-17-18-15(22-11)19-5-13(9-21-8-12-2-3-12)6-20-10-16-4-14(20)7-19/h4,10,12-13H,2-3,5-9H2,1H3/t13-/m0/s1
InChIKeyRBNOUMBKPLTRIO-ZDUSSCGKSA-N
MW319.43 g/mol
LogP2.11
Rot. Bonds5

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

2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 97483767) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID97483767
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)s1
InChIInChI=1S/C15H21N5OS/c1-11-17-18-15(22-11)19-5-13(9-21-8-12-2-3-12)6-20-10-16-4-14(20)7-19/h4,10,12-13H,2-3,5-9H2,1H3/t13-/m0/s1
InChIKeyRBNOUMBKPLTRIO-ZDUSSCGKSA-N
XLogP2.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole with MolForge

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Related Compounds

2-[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 155839842
5-[[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole
CID 97475264
5-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole
CID 97475265
4-[[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 97475487
4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 97475488
2-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole
CID 97483766
4-[[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 131639569
5-[[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole
CID 131646301
2-[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole
CID 131660712

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole (CID 97483767) is 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)s1.
What is the InChIKey of 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is RBNOUMBKPLTRIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-17-18-15(22-11)19-5-13(9-21-8-12-2-3-12)6-20-10-16-4-14(20)7-19/h4,10,12-13H,2-3,5-9H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole?
2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 319.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 97483767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).