4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole

C15H20N4O3S2 — CID 131655530

IUPAC4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COC2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1
InChIInChI=1S/C15H20N4O3S2/c1-11-17-12(10-23-11)9-22-14-7-18(24(20,21)15-2-3-15)6-13-4-5-16-19(13)8-14/h4-5,10,14-15H,2-3,6-9H2,1H3
InChIKeyCKYCAUAKWOGTJU-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.54
Rot. Bonds5

About 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole

4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole (PubChem CID 131655530) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole
PubChem CID131655530
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COC2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1
InChIInChI=1S/C15H20N4O3S2/c1-11-17-12(10-23-11)9-22-14-7-18(24(20,21)15-2-3-15)6-13-4-5-16-19(13)8-14/h4-5,10,14-15H,2-3,6-9H2,1H3
InChIKeyCKYCAUAKWOGTJU-UHFFFAOYSA-N
XLogP1.54
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831348
4-[(5-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155832867
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267
(2-methyl-1,3-thiazol-4-yl)-[(7R)-7-(pyridin-3-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124809043
(3R,3aR,6aS)-1-cyclopropylsulfonyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97459621
2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole
CID 98777713
(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97421150
2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131662727
(3-methyl-1,2-oxazol-5-yl)-[7-[(6-methyl-2-pyridinyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140272
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methylsulfanylethanone
CID 131694281
(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
CID 102561731

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole (CID 131655530) is 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole is Cc1nc(COC2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1.
What is the InChIKey of 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is CKYCAUAKWOGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-11-17-12(10-23-11)9-22-14-7-18(24(20,21)15-2-3-15)6-13-4-5-16-19(13)8-14/h4-5,10,14-15H,2-3,6-9H2,1H3.
What are the key properties of 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole?
4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 368.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 131655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).