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

C16H19N7OS — CID 131682997

IUPAC(2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1nc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)cs1
InChIInChI=1S/C16H19N7OS/c1-11-6-18-20-23(11)7-13-15-8-21(4-3-5-22(15)10-17-13)16(24)14-9-25-12(2)19-14/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyMJYKEVVGTXJZIQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.64
Rot. Bonds3

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

(2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 131682997) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID131682997
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1nc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)cs1
InChIInChI=1S/C16H19N7OS/c1-11-6-18-20-23(11)7-13-15-8-21(4-3-5-22(15)10-17-13)16(24)14-9-25-12(2)19-14/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyMJYKEVVGTXJZIQ-UHFFFAOYSA-N
XLogP1.64
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131682998
1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile
CID 131682967
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
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1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
(1,5-dimethylpyrazol-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86893709
(2-methyl-1,3-thiazol-4-yl)-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 138387143
[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199184
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 131682997) is (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is Cc1nc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is MJYKEVVGTXJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-11-6-18-20-23(11)7-13-15-8-21(4-3-5-22(15)10-17-13)16(24)14-9-25-12(2)19-14/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 131682997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).