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

C14H19N5O3S2 — CID 131638831

IUPACN-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
SMILESCc1nc(C(=O)N2Cc3ccnn3CC(CNS(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H19N5O3S2/c1-10-17-13(9-23-10)14(20)18-6-11(5-16-24(2,21)22)7-19-12(8-18)3-4-15-19/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyUGAWKKQAHXBQDT-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.47
Rot. Bonds4

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

N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide (PubChem CID 131638831) has the molecular formula C14H19N5O3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
PubChem CID131638831
Molecular FormulaC14H19N5O3S2
Molecular Weight369.47 g/mol
Exact Mass369.09
IUPAC NameN-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
SMILESCc1nc(C(=O)N2Cc3ccnn3CC(CNS(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H19N5O3S2/c1-10-17-13(9-23-10)14(20)18-6-11(5-16-24(2,21)22)7-19-12(8-18)3-4-15-19/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyUGAWKKQAHXBQDT-UHFFFAOYSA-N
XLogP0.47
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(7S)-5-(2-methylfuran-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124811297
N-[[(7R)-5-(furan-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782709
N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124810694
N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124835004
N-[[(7R)-5-(2-thiophen-3-ylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782118
N-[[(7S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124808651
(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
N-[[(7S)-5-(2-cyclopentyloxyacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782882
N-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131660732
N-[[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 66375528
(5-methylthiophen-2-yl)-[7-[(pyridin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131669421
N-[[5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133144290

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide (CID 131638831) is N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide is Cc1nc(C(=O)N2Cc3ccnn3CC(CNS(C)(=O)=O)C2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
The InChIKey is UGAWKKQAHXBQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2/c1-10-17-13(9-23-10)14(20)18-6-11(5-16-24(2,21)22)7-19-12(8-18)3-4-15-19/h3-4,9,11,16H,5-8H2,1-2H3.
What are the key properties of N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide has a molecular weight of 369.47 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131638831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).